Geometry & MOs

Info

ID:	235974
PubChem CID:	92711285
Reduced:	Cl2N2O5C22H24 (1)
Stoich.:	A2B2C5D22E24 (1)
Weight, g/mol:	466.106227
ΔH_f, kcal/mol:	-195.76
Dipole, Da:	8.86
IP(EA), eV:	-8.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-2-[(2,5-dichlorophenyl)carbamoyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)NC3=C(C=CC(=C3)Cl)Cl)CC(=O)O)OCC

DOS

IR

Vibrations