Geometry & MOs

Info

ID:	193900
PubChem CID:	78452202
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	4.67
IP(EA), eV:	-8.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-6-oxo-5-thiophen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CC=CS4

DOS

IR

Vibrations