Geometry & MOs

Info

ID:

441794

PubChem CID:

135244840

Reduced:

NH20C23 (2)

Stoich.:

AB20C23 (2)

Weight, g/mol:

495.132776

ΔHf, kcal/mol:

194.65

Dipole, Da:

0.95

IP(EA), eV:

 -7.75(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamoylamino]-2-(dihydroxymethyl)pentanoic acid

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=C3C=CC(=CC3=C1CCC#C)N(C4=CC=CC=C4)C5=CC=CC(C=C5)(C)C)N(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations