Geometry & MOs

Info

ID:

215503

PubChem CID:

85084833

Reduced:

P2O30C31H56 (1)

Stoich.:

A2B30C31D56 (1)

Weight, g/mol:

970.572572

ΔHf, kcal/mol:

-1484.2

Dipole, Da:

7.26

IP(EA), eV:

 -10.28(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)COP(=O)(O)OCC(COP(=O)(O)OCC(CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)OC(=O)C

DOS

IR

Vibrations