Geometry & MOs

Info

ID:	165229
PubChem CID:	74519782
Reduced:	BrSN2O2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	21.65
Dipole, Da:	5.0
IP(EA), eV:	-8.91(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]-3-ethoxyphenyl]-N-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=CS2)Br)C#N

DOS

IR

Vibrations