Geometry & MOs

Info

ID:	54404
PubChem CID:	17141599
Reduced:	S2N3O4C26H29 (1)
Stoich.:	A2B3C4D26E29 (1)
Weight, g/mol:	514.250144
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	11.82
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-tert-butyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,4-diethoxybenzamide

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C=CC=C3C)C

DOS

IR

Vibrations