Geometry & MOs

Info

ID:	173489
PubChem CID:	75643788
Reduced:	N2C19H21 (1)
Stoich.:	A2B19C21 (1)
Weight, g/mol:	403.107616
ΔH_f, kcal/mol:	90.48
Dipole, Da:	2.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757670
Charge, e:	-1

Chem-info

IUPAC name:

(4-methyl-3-nitrophenyl)sulfonyl-[(4-morpholin-4-ylphenyl)methylideneamino]azanide

Drug info:

PubChemData

Smile

CC1(C2C1(N=[NH+]C2(C3=CC=CC=C3)C4=CC=CC=C4)C)C

DOS

IR

Vibrations