Geometry & MOs

Info

ID:	184905
PubChem CID:	77227269
Reduced:	ClNO3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	637.217263
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	7.14
IP(EA), eV:	-9.77(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-hydroxyacetyl)-4-oxo-5-[2-oxo-2-[(5-oxo-3-phenylmethoxyoxolan-3-yl)amino]ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC#CC1CCC(N1C(=O)CCl)C(=O)OC

DOS

IR

Vibrations