Geometry & MOs

Info

ID:

312216

PubChem CID:

126603637

Reduced:

OSN7C20H33 (1)

Stoich.:

ABC7D20E33 (1)

Weight, g/mol:

683.270145

ΔHf, kcal/mol:

0.69

Dipole, Da:

3.11

IP(EA), eV:

 -8.59(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-(2,4-difluorophenyl)-4-[hydroxy-[[1-methyl-5-[(4R)-4-(phenylmethoxycarbonylamino)azepan-1-yl]pyrazol-4-yl]amino]methyl]-1,3-thiazol-5-yl]carbamate

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)NC(C2=C(SC(=N2)C3CCCCC3)N)O)N4CCC(CC4)CN

DOS

IR

Vibrations