Geometry & MOs

Info

ID:	324893
PubChem CID:	126678553
Reduced:	BrN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-174.45
Dipole, Da:	3.07
IP(EA), eV:	-9.71(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations