Geometry & MOs

Info

ID:	303574
PubChem CID:	124489919
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	366.05791
ΔH_f, kcal/mol:	-130.46
Dipole, Da:	1.96
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[2-(4-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations