Geometry & MOs

Info

ID:	439333
PubChem CID:	135229104
Reduced:	I2O2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	699.94866
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	2.32
IP(EA), eV:	-9.25(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12aS)-9-[[5-(chloromethyl)-2,3-diiodo-4-methylphenyl]methoxy]-8-methoxy-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1CO)CO)I)I

DOS

IR

Vibrations