Geometry & MOs

Info

ID:	193807
PubChem CID:	78440931
Reduced:	SN2O6H13C17 (1)
Stoich.:	AB2C6D13E17 (1)
Weight, g/mol:	368.1139
ΔH_f, kcal/mol:	-79.14
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786065
Charge, e:	0

Chem-info

IUPAC name:

[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2C=CC3=NC(=O)C=C(C3=C2)C(=O)[O-]

DOS

IR

Vibrations