Geometry & MOs

Info

ID:

325170

PubChem CID:

126681739

Reduced:

OSN2C15H22 (1)

Stoich.:

ABC2D15E22 (1)

Weight, g/mol:

702.336353

ΔHf, kcal/mol:

6.94

Dipole, Da:

2.14

IP(EA), eV:

 -8.4(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)/N=C(\CCC1CC1)/C2=CC=NC=C2

DOS

IR

Vibrations