Geometry & MOs

Info

ID:

189121

PubChem CID:

77819756

Reduced:

O2N3C18H29 (2)

Stoich.:

A2B3C18D29 (2)

Weight, g/mol:

649.23772

ΔHf, kcal/mol:

-115.23

Dipole, Da:

3.82

IP(EA), eV:

 -8.24(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-[2-(benzenesulfinylcarbamoyl)cyclopropyl]nonanoyl]-6-(3-chlorophenoxy)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1C2C1(C2C)C(CNC)NC(=C)NC(C(=O)N3CC4CCCC4C3C(=O)NC(CC5CCC5)C(=O)C(=O)NC6CC6)C(C)(C)C

DOS

IR

Vibrations