Geometry & MOs

Info

ID:	324878
PubChem CID:	126678530
Reduced:	BrN2O4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	396.06847
ΔH_f, kcal/mol:	-176.73
Dipole, Da:	6.26
IP(EA), eV:	-9.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)CC2=CC(=CC=C2)Br

DOS

IR

Vibrations