Geometry & MOs

Info

ID:	159321
PubChem CID:	57269565
Reduced:	O3N4C9H19 (1)
Stoich.:	A3B4C9D19 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-22.21
Dipole, Da:	3.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763388
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-acetamidonaphthalen-1-yl)sulfonylamino]cyclohexyl] formate

Drug info:

PubChemData

Smile

CC(=NO)CC(=NO)CCCCC[N+](=O)N

DOS

IR

Vibrations