Geometry & MOs

Info

ID:	145715
PubChem CID:	53580952
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-21.19
Dipole, Da:	7.03
IP(EA), eV:	-8.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1-ethylpyrazol-4-yl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CCC2=C(N3C(=CC(=O)N3)N=C2C)C)C

DOS

IR

Vibrations