Geometry & MOs

Info

ID:	315356
PubChem CID:	126625687
Reduced:	OF4N5H21C23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	482.088114
ΔH_f, kcal/mol:	-139.98
Dipole, Da:	4.92
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[N-(2-chloro-4-fluorophenyl)-N'-[4-(trifluoromethyl)benzoyl]carbamimidoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=NN2)NC(=NC3CCC3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations