Geometry & MOs

Info

ID:

175947

PubChem CID:

75971283

Reduced:

N4O4C33H52 (1)

Stoich.:

A4B4C33D52 (1)

Weight, g/mol:

583.300599

ΔHf, kcal/mol:

-217.59

Dipole, Da:

4.89

IP(EA), eV:

 -9.15(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(2-amino-3-methylbutanoyl)amino]-3-methylpentanoyl]-7-[2-(hydroxyamino)-2-oxoethoxy]-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CC(N(CC2=O)CC(C(CC(C(C)C)C(=O)NC3C4CC5CC3CC(C5)(C4)OC)O)N)(C)C

DOS

IR

Vibrations