Geometry & MOs

Info

ID:	139370
PubChem CID:	52518917
Reduced:	N4O4C22H25 (1)
Stoich.:	A4B4C22D25 (1)
Weight, g/mol:	365.086784
ΔH_f, kcal/mol:	6.32
Dipole, Da:	5.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.060394
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-methylsulfonyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)C[NH+]3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations