Geometry & MOs

Info

ID:	303575
PubChem CID:	124489920
Reduced:	BrN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-104.66
Dipole, Da:	3.55
IP(EA), eV:	-9.12(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[2-(6-chloroindol-1-yl)acetyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)CN1C=CC2=C1C=CC=C2Br

DOS

IR

Vibrations