Geometry & MOs

Info

ID:	131840
PubChem CID:	51267985
Reduced:	NSO4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-98.51
Dipole, Da:	4.37
IP(EA), eV:	-9.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-methyl-N-(1-thiophen-2-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)N(C)C(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

DOS

IR

Vibrations