Geometry & MOs

Info

ID:	230135
PubChem CID:	87570281
Reduced:	NO2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	603.172255
ΔH_f, kcal/mol:	-69.89
Dipole, Da:	2.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753930
Charge, e:	0

Chem-info

IUPAC name:

2-trimethylsilylethyl N-[4-[(E)-2-[2-methoxy-4-[(E)-2-[4-(trifluoromethylperoxysulfanyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCC([N+](C)(C)CC)OC(=O)C(=C)C

DOS

IR

Vibrations