Geometry & MOs

Info

ID:

221810

PubChem CID:

85286166

Reduced:

N2O16C25H42 (1)

Stoich.:

A2B16C25D42 (1)

Weight, g/mol:

626.228911

ΔHf, kcal/mol:

-715.62

Dipole, Da:

7.66

IP(EA), eV:

 -10.19(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[2-(4-fluorophenyl)-1-[2-[[1-hydroxy-3-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-6-oxopyrimidin-5-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1N(CC=C)C(=O)C)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O

DOS

IR

Vibrations