Geometry & MOs

Info

ID:	414067
PubChem CID:	135087021
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	484.166808
ΔH_f, kcal/mol:	-130.61
Dipole, Da:	2.32
IP(EA), eV:	-8.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-methylphenyl)sulfonyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2C=C1C(=O)NCC(=O)C3=CC=C(C=C3)O)OC)OC

DOS

IR

Vibrations