Geometry & MOs

Info

ID:

307939

PubChem CID:

125310811

Reduced:

N4O7C25H48 (1)

Stoich.:

A4B7C25D48 (1)

Weight, g/mol:

680.373644

ΔHf, kcal/mol:

-385.15

Dipole, Da:

4.44

IP(EA), eV:

 -9.4(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-10-[ethoxy(phenylmethoxy)phosphoryl]decanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCCCCNC(=O)CCCCCCCCCCN)CO)O)O

DOS

IR

Vibrations