Geometry & MOs

Info

ID:	80275
PubChem CID:	49833808
Reduced:	ClSN3O4H24C26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	505.140449
ΔH_f, kcal/mol:	-69.28
Dipole, Da:	2.41
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl) 1-[4-(2-amino-2-oxoethoxy)phenyl]-6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Drug info:

PubChemData

Smile

COCC(=O)N1CCC2=C(C1)C=CC(=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations