Geometry & MOs

Info

ID:	69140
PubChem CID:	46519961
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	5.59
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCCCN2C(=NC3=CC=CC=C32)C)O

DOS

IR

Vibrations