Geometry & MOs

Info

ID:	178528
PubChem CID:	76342619
Reduced:	BrClN2O4C21H22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	478.0295
ΔH_f, kcal/mol:	-119.19
Dipole, Da:	5.27
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-methylphenyl)-3-[3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)CCNC(=O)C=CC2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations