Geometry & MOs

Info

ID:

168153

PubChem CID:

74930073

Reduced:

ClON4H21C23 (1)

Stoich.:

ABC4D21E23 (1)

Weight, g/mol:

637.272333

ΔHf, kcal/mol:

47.93

Dipole, Da:

2.43

IP(EA), eV:

 -9.37(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[3-methyl-1-[2-[[3-methyl-1-oxo-1-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(C=N3)CC4=NC=C(C=C4)Cl

DOS

IR

Vibrations