Geometry & MOs

Info

ID:	238915
PubChem CID:	93165725
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	6.09
IP(EA), eV:	-9.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)[C@@H](C1=CC=CC=C1)N2CCCC2

DOS

IR

Vibrations