Geometry & MOs

Info

ID:	324869
PubChem CID:	126678512
Reduced:	BrN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	428.0747
ΔH_f, kcal/mol:	-168.11
Dipole, Da:	3.5
IP(EA), eV:	-9.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(2S)-2-[(4-bromo-2-fluorobenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations