Geometry & MOs

Info

ID:	403416
PubChem CID:	135060171
Reduced:	BrFSN2O2H12C18 (1)
Stoich.:	ABCD2E2F12G18 (1)
Weight, g/mol:	456.114378
ΔH_f, kcal/mol:	-49.11
Dipole, Da:	6.95
IP(EA), eV:	-9.13(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(4-methylphenyl)sulfonyl-4-phenylpyrido[4,3-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)F)C4=CN=C(C=C42)Br

DOS

IR

Vibrations