Geometry & MOs

Info

ID:

179715

PubChem CID:

76521455

Reduced:

N4O6C32H41 (1)

Stoich.:

A4B6C32D41 (1)

Weight, g/mol:

556.302276

ΔHf, kcal/mol:

-198.69

Dipole, Da:

5.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.775796

Charge, e:

 -1

Chem-info

IUPAC name:

N-[3-hydroxy-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-2-yl]-N-(oxolan-3-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCC(C(CC2=CC=CC=C2)N(CC3=CN=CC=C3)C(=O)[O-])O)O

DOS

IR

Vibrations