Geometry & MOs

Info

ID:	62237
PubChem CID:	26718502
Reduced:	ClSN4O4H13C18 (1)
Stoich.:	ABC4D4E13F18 (1)
Weight, g/mol:	381.107319
ΔH_f, kcal/mol:	4.49
Dipole, Da:	4.73
IP(EA), eV:	-9.61(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N'-(3-nitrobenzoyl)-1-phenylpyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations