Geometry & MOs

Info

ID:	61570
PubChem CID:	26710635
Reduced:	ClSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	425.086784
ΔH_f, kcal/mol:	-1.13
Dipole, Da:	4.03
IP(EA), eV:	-8.35(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

DOS

IR

Vibrations