Geometry & MOs

Info

ID:	171774
PubChem CID:	75425118
Reduced:	BrO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	383.01497
ΔH_f, kcal/mol:	40.76
Dipole, Da:	2.21
IP(EA), eV:	-8.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-5-methylsulfonyl-N-phenyl-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)CO/N=C(\C2=NC=CN=C2)/N

DOS

IR

Vibrations