Geometry & MOs

Info

ID:	302186
PubChem CID:	124360323
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	393.145534
ΔH_f, kcal/mol:	-85.12
Dipole, Da:	6.43
IP(EA), eV:	-8.49(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)NC(=O)[C@H]2CC3=CC=CC=C3CN2

DOS

IR

Vibrations