Geometry & MOs

Info

ID:	64195
PubChem CID:	29198192
Reduced:	ClSO3N5H20C24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	67.2
Dipole, Da:	5.12
IP(EA), eV:	-9.01(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations