Geometry & MOs

Info

ID:	144244
PubChem CID:	53336979
Reduced:	SO3N5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	445.214761
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	4.86
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)NCC4=CC=CC=C4C

DOS

IR

Vibrations