Geometry & MOs

Info

ID:	135403
PubChem CID:	51867465
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	2.28
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-oxo-3-phenyl-1-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)C2=C(C3=C(N=C(N=C3S2)C4CC4)C)C

DOS

IR

Vibrations