Geometry & MOs

Info

ID:	61381
PubChem CID:	26708747
Reduced:	SN3O5C23H33 (1)
Stoich.:	AB3C5D23E33 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-179.85
Dipole, Da:	10.38
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(C)C)NC(=O)CCC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations