Geometry & MOs

Info

ID:

176875

PubChem CID:

76106822

Reduced:

NO4C37H47 (1)

Stoich.:

AB4C37D47 (1)

Weight, g/mol:

537.318729

ΔHf, kcal/mol:

-172.24

Dipole, Da:

0.98

IP(EA), eV:

 -9.18(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[6-[(1-amino-2-fluoroethylidene)amino]-1-[methyl(tetrazolidin-5-yl)amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(CC(CC2=CC=CC=C2)O)C(CC(CC3=CC=CC=C3)C(=O)NC4C(CC5=CC=CC=C45)O)O

DOS

IR

Vibrations