Geometry & MOs

Info

ID:	235148
PubChem CID:	92304132
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	403.066048
ΔH_f, kcal/mol:	-178.38
Dipole, Da:	6.19
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-carbamoyl-2-[[(Z)-2-cyano-3-(5-ethylthiophen-2-yl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@H](C1=CC=C(C=C1)N)O)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations