Geometry & MOs

Info

ID:	313520
PubChem CID:	126615303
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	502.227928
ΔH_f, kcal/mol:	-125.43
Dipole, Da:	1.95
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-1-[(4-tert-butyl-3,5-difluorophenyl)carbamoyl]-6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)[C@@H](N(CC2)C(=O)CC3=CC(=O)NO3)C=O

DOS

IR

Vibrations