Geometry & MOs

Info

ID:	32936
PubChem CID:	7849632
Reduced:	NF2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-175.99
Dipole, Da:	5.42
IP(EA), eV:	-9.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,5-dimethyl-2-[[2-[(E)-3-(2-methylphenyl)prop-2-enoyl]oxyacetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)N[C@@H](C)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations