Geometry & MOs

Info

ID:	235807
PubChem CID:	92710680
Reduced:	SO4N7C21H25 (1)
Stoich.:	AB4C7D21E25 (1)
Weight, g/mol:	461.17329
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	10.28
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=NN=C(S2)N3CCCC3=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations