Geometry & MOs

Info

ID:	394996
PubChem CID:	135024367
Reduced:	SN2O2H30C32 (1)
Stoich.:	AB2C2D30E32 (1)
Weight, g/mol:	357.07283
ΔH_f, kcal/mol:	37.0
Dipole, Da:	1.37
IP(EA), eV:	-8.57(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-bromo-2-[3-(2-methylpropyl)phenyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN=C2N(C(=O)/C(=C/C3=CC=C(O3)C4=CC=CC=C4)/S2)CCCC5=CC=CC=C5

DOS

IR

Vibrations