Geometry & MOs

Info

ID:	307244
PubChem CID:	125292936
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	676.170865
ΔH_f, kcal/mol:	35.07
Dipole, Da:	4.48
IP(EA), eV:	-8.32(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[4-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]acetamide

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

C1[C@H](C2=CC=CC=C2N1CCCN)C3=C(C(=O)NC3=O)C4=C5C=CC=CC5=NC4

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

C1[C@H](C2=CC=CC=C2N1CCCN)C3=C(C(=O)NC3=O)C4=C5C=CC=CC5=NC4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):