Geometry & MOs

Info

ID:	32937
PubChem CID:	7849643
Reduced:	NSO5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-167.96
Dipole, Da:	6.47
IP(EA), eV:	-8.84(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

DOS

IR

Vibrations