Geometry & MOs

Info

ID:

222963

PubChem CID:

85333537

Reduced:

NO13C37H67 (1)

Stoich.:

AB13C37D67 (1)

Weight, g/mol:

735.385666

ΔHf, kcal/mol:

-651.45

Dipole, Da:

3.68

IP(EA), eV:

 -8.64(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2C(C(C(C(O2)OC)OC)O)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)C

DOS

IR

Vibrations