Geometry & MOs

Info

ID:

220201

PubChem CID:

85165355

Reduced:

S2O9H30C36 (1)

Stoich.:

A2B9C30D36 (1)

Weight, g/mol:

670.373035

ΔHf, kcal/mol:

-176.92

Dipole, Da:

5.53

IP(EA), eV:

 -8.74(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[5-[3-(2,2-dimethylpropylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1COC2C1(C(C3=CC=CC=C23)(C4=CC=CC=C4)C5=CC=C(O5)C6=CC=CC=C6C(=O)C7=CC=CC=C7)OS(=O)(=O)C

DOS

IR

Vibrations