Geometry & MOs

Info

ID:	403488
PubChem CID:	135060493
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	450.161329
ΔH_f, kcal/mol:	-98.72
Dipole, Da:	4.02
IP(EA), eV:	-8.4(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 9-(4-methylphenyl)sulfonyl-4-pentylpyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)SCC)C

DOS

IR

Vibrations