Geometry & MOs

Info

ID:	79993
PubChem CID:	49832048
Reduced:	SN2O6C19H28 (1)
Stoich.:	AB2C6D19E28 (1)
Weight, g/mol:	572.08082
ΔH_f, kcal/mol:	-234.75
Dipole, Da:	6.29
IP(EA), eV:	-10.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-1-(2-iodoethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(CO)[C@H](C(=O)NCCC(=O)NCC/C=C/S(=O)(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations