Geometry & MOs

Info

ID:	243208
PubChem CID:	99216988
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	423.146203
ΔH_f, kcal/mol:	-30.34
Dipole, Da:	6.49
IP(EA), eV:	-8.87(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]phenyl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N=C1C)SCC(=O)NC2=CC=CC(=C2)CN3CCC[C@@H]3C(=O)N)C#N)C

DOS

IR

Vibrations