Geometry & MOs

Info

ID:	414173
PubChem CID:	135087129
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	330.19032
ΔH_f, kcal/mol:	-109.11
Dipole, Da:	7.56
IP(EA), eV:	-9.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E)-[3-(dimethylcarbamoyl)-4-nitrohexan-2-ylidene]amino]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)/C(=N\NS(=O)(=O)C2=CC=C(C=C2)C)/C

DOS

IR

Vibrations