Geometry & MOs

Info

ID:	182768
PubChem CID:	76936560
Reduced:	NSO2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-62.31
Dipole, Da:	6.87
IP(EA), eV:	-8.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-methylphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCCSCC2)C=CC(=O)O

DOS

IR

Vibrations