Geometry & MOs

Info

ID:	403464
PubChem CID:	135060458
Reduced:	ClSO2N3H24C31 (1)
Stoich.:	ABC2D3E24F31 (1)
Weight, g/mol:	561.172228
ΔH_f, kcal/mol:	74.7
Dipole, Da:	14.58
IP(EA), eV:	-8.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzyl-2-[(4-methylphenyl)sulfonylamino]-4-phenylpyrido[4,3-b]indole-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN2C=C3C4=C(C=C(C=C4)Cl)N=C3C(=C2CC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations