Geometry & MOs

Info

ID:

215104

PubChem CID:

85084160

Reduced:

SN2O9C38H42 (1)

Stoich.:

AB2C9D38E42 (1)

Weight, g/mol:

703.20825

ΔHf, kcal/mol:

-302.17

Dipole, Da:

1.94

IP(EA), eV:

 -8.64(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-amino-4-(3,5-difluorophenyl)-1-[[1-(3-iodophenyl)cyclopropyl]amino]butan-2-yl] 3-(dipropylcarbamoyl)-5-methylbenzoate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)SCOC(=O)C(C)(C)C

DOS

IR

Vibrations