Geometry & MOs

Info

ID:	35594
PubChem CID:	7980076
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	3.21
IP(EA), eV:	-8.58(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,5-dimethoxy-4-[[(3S)-3-phenylbutanoyl]amino]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCSC2=CC=CC=C2

DOS

IR

Vibrations