Geometry & MOs

Info

ID:

47287

PubChem CID:

10531194

Reduced:

SN2O10C27H30 (1)

Stoich.:

AB2C10D27E30 (1)

Weight, g/mol:

576.222014

ΔHf, kcal/mol:

-355.08

Dipole, Da:

6.85

IP(EA), eV:

 -8.75(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(Z)-N,N'-bis(phenylmethoxycarbonyl)carbamimidoyl]amino]phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SC2=N/C(=C\C3=CC=CC=C3)/C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations