Geometry & MOs

Info

ID:

168785

PubChem CID:

75018365

Reduced:

SCl2F3N4O6H27C30 (1)

Stoich.:

AB2C3D4E6F27G30 (1)

Weight, g/mol:

707.281127

ΔHf, kcal/mol:

-349.49

Dipole, Da:

3.73

IP(EA), eV:

 -9.15(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-propan-2-yl-1,3-thiazol-2-yl)methyl N-[1-[[3-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC2CCC1C(N2S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C(=O)NC(CC4=CC=C(C=C4)NC(=O)C5=CC(=NC(=C5)Cl)Cl)C(=O)O

DOS

IR

Vibrations