Geometry & MOs

Info

ID:	335641
PubChem CID:	127254503
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	406.135114
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	5.16
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-oxo-9H-thiopyrano[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=NC=C(C=C2)Cl

DOS

IR

Vibrations