Geometry & MOs

Info

ID:

221723

PubChem CID:

85286077

Reduced:

N3O10C31H39 (1)

Stoich.:

A3B10C31D39 (1)

Weight, g/mol:

613.351572

ΔHf, kcal/mol:

-431.96

Dipole, Da:

2.52

IP(EA), eV:

 -8.93(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[4-[[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methylamino]-3-phenylpropanoyl]amino]phenyl]acetate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1NC(=O)CC(C(=O)OC(C)(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CO)O)O

DOS

IR

Vibrations