Geometry & MOs

Info

ID:	134569
PubChem CID:	51714548
Reduced:	ClSN4O5H14C18 (1)
Stoich.:	ABC4D5E14F18 (1)
Weight, g/mol:	434.045168
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.120978
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[(2Z)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N\NC2=C(C=C(C=C2)S(=O)(=O)[N-]C3=CC(=CC=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations