Geometry & MOs

Info

ID:	135807
PubChem CID:	51939012
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	380.070989
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	6.35
IP(EA), eV:	-8.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(5-chloro-2-methoxybenzoyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5

DOS

IR

Vibrations