Geometry & MOs

Info

ID:	54644
PubChem CID:	17389032
Reduced:	OSBr2N5H19C21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	387.121906
ΔH_f, kcal/mol:	34.78
Dipole, Da:	7.69
IP(EA), eV:	-9.12(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NC3=C(C4=CC=CC=C4N3C(C)C)N=N2)Br

DOS

IR

Vibrations