Geometry & MOs

Info

ID:

448428

PubChem CID:

135290820

Reduced:

IO2N3C15H22 (1)

Stoich.:

AB2C3D15E22 (1)

Weight, g/mol:

1009.387239

ΔHf, kcal/mol:

-42.73

Dipole, Da:

2.59

IP(EA), eV:

 -8.53(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,5S,6S)-4-amino-7-[[[(2S)-2-(cyclopropanecarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoyl]amino]-[[4-[1-(difluoromethyl)pyrazol-4-yl]-2,6-difluorophenyl]methyl]amino]-5-[[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]methyl]-1,1,1-trifluoro-6-hydroxy-2,2-dimethylheptan-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(CO)(CO)N1C2CCC1CN(C2)C3=NC=C(C=C3)I

DOS

IR

Vibrations