Geometry & MOs

Info

ID:

325166

PubChem CID:

126681723

Reduced:

BrO2N4C37H37 (1)

Stoich.:

AB2C4D37E37 (1)

Weight, g/mol:

702.336353

ΔHf, kcal/mol:

67.09

Dipole, Da:

1.65

IP(EA), eV:

 -9.07(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=CC(=N2)C)C(=O)NC3=CC=CC(=C3)C(C4=CC(=C(C=C4)OCC5=CC=CC=C5)Br)NCC6CC6

DOS

IR

Vibrations