Geometry & MOs

Info

ID:

189141

PubChem CID:

77823242

Reduced:

N2F3O4C25H29 (1)

Stoich.:

A2B3C4D25E29 (1)

Weight, g/mol:

677.35772

ΔHf, kcal/mol:

-323.19

Dipole, Da:

5.54

IP(EA), eV:

 -9.59(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[3-benzyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-hydroxy-4-oxobutyl]-2-[(4-pyridin-4-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C(C(C1)O)C2=CC=CC(=C2)C3=CC=CC=C3)C(=O)NCC(F)(F)F

DOS

IR

Vibrations