Geometry & MOs

Info

ID:	12228
PubChem CID:	133103
Reduced:	N3O4C30H38 (1)
Stoich.:	A3B4C30D38 (1)
Weight, g/mol:	504.286232
ΔH_f, kcal/mol:	-106.28
Dipole, Da:	4.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774339
Charge, e:	1

Chem-info

IUPAC name:

(S)-benzamido-benzyl-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)[C@H](C[N@+](C)(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations