Geometry & MOs

Info

ID:	61055
PubChem CID:	26704917
Reduced:	SN2O5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-101.26
Dipole, Da:	4.2
IP(EA), eV:	-8.87(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoylamino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=C(SC=C2)C(=O)OC)OCC#N

DOS

IR

Vibrations