Geometry & MOs

Info

ID:	431546
PubChem CID:	135171634
Reduced:	NSO3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-138.87
Dipole, Da:	3.35
IP(EA), eV:	-10.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-(2-methyl-1-nitrosopropan-2-yl)-N-(2-methylpropyl)-2-nitroaniline

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](OC(=O)[C@@H]1NC(=O)S)C

DOS

IR

Vibrations