Geometry & MOs

Info

ID:	439525
PubChem CID:	135229301
Reduced:	O2N3C29H39 (1)
Stoich.:	A2B3C29D39 (1)
Weight, g/mol:	587.324037
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	3.8
IP(EA), eV:	-8.12(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[acetyl(prop-2-enyl)carbamoyl]-pentan-3-ylcarbamoyl]amino]propyl 2-[2-(2-hydroxy-4,4-dimethylheptoxy)-2-oxoethyl]sulfanylacetate

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]1CCC([C@@H](C1)N2C3=C(C=C(C=C3)CC(=O)OC)N=C2NC4=CC=C(C=C4)C(C)C)C(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]1CCC([C@@H](C1)N2C3=C(C=C(C=C3)CC(=O)OC)N=C2NC4=CC=C(C=C4)C(C)C)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):