Geometry & MOs

Info

ID:	79224
PubChem CID:	49747534
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-46.98
Dipole, Da:	4.63
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)/C=C/C2=CC=CO2)C3=CC=CS3

DOS

IR

Vibrations