Geometry & MOs

Info

ID:	315729
PubChem CID:	126628627
Reduced:	NSO2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	567.378455
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	4.5
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[2-(4,4-dimethylhept-6-enoylamino)-3-methylbutanoyl]amino]propanoyl]-N-[(1R)-1-(3-ethenylphenyl)ethyl]diazinane-3-carboxamide

Drug info:

PubChemData

Smile

CCSC1=CC2=C(C(=O)N1C)C(CC3=C2C=C(C=C3)OC)(C)C

DOS

IR

Vibrations