Geometry & MOs

Info

ID:

80606

PubChem CID:

49835472

Reduced:

ON4H13C14 (2)

Stoich.:

AB4C13D14 (2)

Weight, g/mol:

494.123561

ΔHf, kcal/mol:

85.92

Dipole, Da:

1.3

IP(EA), eV:

 -8.62(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,4S)-N-(1-cyanocyclopropyl)-2-methoxy-4-[4-pyrimidin-5-yl-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC=C(C=C5)N6C=CC=N6)CC(=O)N(C)C

DOS

IR

Vibrations