Geometry & MOs

Info

ID:	146741
PubChem CID:	53742416
Reduced:	ClNOC22H26 (1)
Stoich.:	ABCD22E26 (1)
Weight, g/mol:	344.02337
ΔH_f, kcal/mol:	-17.19
Dipole, Da:	5.17
IP(EA), eV:	-9.01(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6aS,8R)-1-chloro-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]methanesulfonic acid

Drug info:

PubChemData

Smile

CCC(CC(C)CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)Cl

DOS

IR

Vibrations