Geometry & MOs

Info

ID:	318271
PubChem CID:	126650177
Reduced:	ClN4O5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	410.08412
ΔH_f, kcal/mol:	-152.33
Dipole, Da:	6.22
IP(EA), eV:	-8.93(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC(=CC=C2)C(=O)NCCC(=O)OC)OCC3=NNC(=O)N3C

DOS

IR

Vibrations