Geometry & MOs

Info

ID:	156547
PubChem CID:	56371083
Reduced:	SO2N3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	465.193153
ΔH_f, kcal/mol:	-74.13
Dipole, Da:	3.95
IP(EA), eV:	-7.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations