Geometry & MOs

Info

ID:	217211
PubChem CID:	85087430
Reduced:	SO3C20H22 (1)
Stoich.:	AB3C20D22 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	33.17
Dipole, Da:	1.26
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(4-bromo-3-methoxy-4-phenylbutan-2-ylidene)amino]carbamate

Drug info:

PubChemData

Smile

CC12C=CCCCC(C1C(=C)C(=O)C=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations