Geometry & MOs

Info

ID:	320971
PubChem CID:	126664314
Reduced:	ClFSN4O6C32H44 (1)
Stoich.:	ABCD4E6F32G44 (1)
Weight, g/mol:	482.241687
ΔH_f, kcal/mol:	-297.15
Dipole, Da:	9.3
IP(EA), eV:	-8.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]pent-4-enoic acid

Drug info:

PubChemData

Smile

C1CCOC(C1)CC[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CCC4CNC5CCCS(N4C5)(O)O)NC(=O)O

DOS

IR

Vibrations