Geometry & MOs

Info

ID:	44426
PubChem CID:	10503489
Reduced:	O2N5H19C27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	446.130028
ΔH_f, kcal/mol:	89.79
Dipole, Da:	8.26
IP(EA), eV:	-9.05(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 9-(benzenesulfonyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=O)N3C(=CC(=NC3=N2)C4=CC=CC=C4)NC5=CC=CC=C5)C#N

DOS

IR

Vibrations