Geometry & MOs

Info

ID:

80896

PubChem CID:

49846934

Reduced:

N2O3C16H26 (1)

Stoich.:

A2B3C16D26 (1)

Weight, g/mol:

730.34386

ΔHf, kcal/mol:

-148.46

Dipole, Da:

3.61

IP(EA), eV:

 -8.76(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]furan-2-carbonyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)NCC1=CC(=C(C=C1)O)O

DOS

IR

Vibrations