Geometry & MOs

Info

ID:	389013
PubChem CID:	134990912
Reduced:	O7C26H34 (1)
Stoich.:	A7B26C34 (1)
Weight, g/mol:	547.21007
ΔH_f, kcal/mol:	-288.16
Dipole, Da:	3.14
IP(EA), eV:	-9.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2R)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC(=O)/C(=C\O)/C[C@@]4([C@H]3[C@H](C[C@@]2([C@@]15C6(COCO6)OCO5)C)O)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC(=O)/C(=C\O)/C[C@@]4([C@H]3[C@H](C[C@@]2([C@@]15C6(COCO6)OCO5)C)O)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):