Geometry & MOs

Info

ID:	85859
PubChem CID:	49879782
Reduced:	BrSN2O7C31H33 (1)
Stoich.:	ABC2D7E31F33 (1)
Weight, g/mol:	459.158292
ΔH_f, kcal/mol:	-184.91
Dipole, Da:	5.11
IP(EA), eV:	-8.32(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-[2-[(2-cyanophenyl)methoxy]naphthalen-1-yl]-N-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)/C(=C\C4=CC(=C(C=C4Br)OCC)OC)/S3)C)C(=O)OCC)OCC=C

DOS

IR

Vibrations