Geometry & MOs

Info

ID:	195415
PubChem CID:	78683482
Reduced:	ClNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-120.69
Dipole, Da:	3.64
IP(EA), eV:	-9.28(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC=CC2=CC=CC=C2

DOS

IR

Vibrations