Geometry & MOs

Info

ID:	190304
PubChem CID:	77982486
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	646.318892
ΔH_f, kcal/mol:	-169.41
Dipole, Da:	2.44
IP(EA), eV:	-9.64(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-13-cyclohexyl-3-methoxy-5,6-dimethyl-N-methylsulfonyl-5,7-dihydroindolo[2,1-a][2]benzazepine-10-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1CCCC(C1)OC

DOS

IR

Vibrations