Geometry & MOs

Info

ID:	175715
PubChem CID:	75940582
Reduced:	ClSO2N3C20H28 (1)
Stoich.:	ABC2D3E20F28 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-107.69
Dipole, Da:	4.51
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-4-(7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations