Geometry & MOs

Info

ID:	170363
PubChem CID:	75221351
Reduced:	NSO6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	410.162391
ΔH_f, kcal/mol:	-177.7
Dipole, Da:	6.17
IP(EA), eV:	-8.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexylethylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)O)OC

DOS

IR

Vibrations