Geometry & MOs

Info

ID:	325085
PubChem CID:	126680457
Reduced:	O2N3C6H11 (1)
Stoich.:	A2B3C6D11 (1)
Weight, g/mol:	410.08412
ΔH_f, kcal/mol:	-57.03
Dipole, Da:	1.14
IP(EA), eV:	-9.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN=C(N)NC(=O)OCC=C

DOS

IR

Vibrations