Geometry & MOs

Info

ID:

214935

PubChem CID:

85083878

Reduced:

O3N7C37H53 (1)

Stoich.:

A3B7C37D53 (1)

Weight, g/mol:

645.14782

ΔHf, kcal/mol:

-120.84

Dipole, Da:

3.15

IP(EA), eV:

 -8.4(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[[1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-3-(2,6-difluorophenyl)-1-oxopropan-2-yl]carbamoyl]-5-(2-chlorophenyl)benzoic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)CC(C(=O)N2CCC(CC2)N3CCN(CC3)C)NC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O)C

DOS

IR

Vibrations