Geometry & MOs

Info

ID:	37453
PubChem CID:	8021265
Reduced:	FSN2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	416.120607
ΔH_f, kcal/mol:	-125.03
Dipole, Da:	2.6
IP(EA), eV:	-8.52(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)F

DOS

IR

Vibrations