Geometry & MOs

Info

ID:	245585
PubChem CID:	99455467
Reduced:	SO3N5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	412.201159
ΔH_f, kcal/mol:	-71.96
Dipole, Da:	4.76
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-1-phenyl-N-[2-(pyrazin-2-ylamino)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCNC3=NC=CN=C3)C

DOS

IR

Vibrations