Geometry & MOs

Info

ID:

173113

PubChem CID:

75599053

Reduced:

N3O6C24H31 (1)

Stoich.:

A3B6C24D31 (1)

Weight, g/mol:

739.282189

ΔHf, kcal/mol:

-143.81

Dipole, Da:

9.2

IP(EA), eV:

 -8.6(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-[[3-[[5-[3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-7-yl]sulfonylamino]thiophene-2-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCC2=COC3CC4C(CC3C2=O)OCO4)C5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations