Geometry & MOs

Info

ID:	195405
PubChem CID:	78682420
Reduced:	NSO4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	331.087829
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	4.31
IP(EA), eV:	-9.09(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyanilino)-2-oxoethyl] 3-(3-methylthiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

DOS

IR

Vibrations