Geometry & MOs

Info

ID:	235966
PubChem CID:	92711237
Reduced:	Cl2N2O5C23H26 (1)
Stoich.:	A2B2C5D23E26 (1)
Weight, g/mol:	484.220951
ΔH_f, kcal/mol:	-198.01
Dipole, Da:	4.49
IP(EA), eV:	-8.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(1S)-6,7-diethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations