Geometry & MOs

Info

ID:	46395
PubChem CID:	10524228
Reduced:	N2O5C20H38 (1)
Stoich.:	A2B5C20D38 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	-288.41
Dipole, Da:	1.85
IP(EA), eV:	-9.25(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)CC(C)C

DOS

IR

Vibrations