Geometry & MOs

Info

ID:	403511
PubChem CID:	135060621
Reduced:	NO3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	514.167477
ΔH_f, kcal/mol:	-202.98
Dipole, Da:	2.57
IP(EA), eV:	-8.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(dimethylsulfamoyl)-4-(2-methoxyphenyl)-N-methyl-N-phenylpyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C3=CC(=NC(=C31)C(OC)OC)C(=O)OC

DOS

IR

Vibrations