Geometry & MOs

Info

ID:	161138
PubChem CID:	57390865
Reduced:	NSO3H9C15 (1)
Stoich.:	ABC3D9E15 (1)
Weight, g/mol:	460.250812
ΔH_f, kcal/mol:	-25.07
Dipole, Da:	4.92
IP(EA), eV:	-9.39(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CC=C(S3)C4=CN=CO4)C(=O)O1

DOS

IR

Vibrations