Geometry & MOs

Info

ID:	403325
PubChem CID:	135059741
Reduced:	BN3O5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	543.182792
ΔH_f, kcal/mol:	-200.58
Dipole, Da:	7.13
IP(EA), eV:	-8.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(4-methoxyphenyl)-3-(N-methylsulfonylanilino)pyrido[3,4-b]indole-9-carboxylate

Drug info:

PubChemData

Smile

B1(OC(=O)CN(CC(=O)O1)C)C2=CC3=C(C(=O)N2)N(C4=CC=CC=C43)C

DOS

IR

Vibrations