Geometry & MOs

Info

ID:	61158
PubChem CID:	26706300
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	492.088659
ΔH_f, kcal/mol:	-116.31
Dipole, Da:	4.55
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-5-chloro-1-[(2,4-dichlorophenyl)methyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC=C1NC(=O)CCNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations