Geometry & MOs

Info

ID:	334587
PubChem CID:	127253262
Reduced:	ClSN2O7C21H27 (1)
Stoich.:	ABC2D7E21F27 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-268.49
Dipole, Da:	7.07
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrol-1-yl-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCS(=O)(=O)NC(C)C

DOS

IR

Vibrations