Geometry & MOs

Info

ID:	62878
PubChem CID:	26737409
Reduced:	FSN3O3H22C26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	489.189986
ΔH_f, kcal/mol:	-75.43
Dipole, Da:	5.67
IP(EA), eV:	-8.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)C4=CC=C(C=C4)F

DOS

IR

Vibrations