Geometry & MOs

Info

ID:

433640

PubChem CID:

135173780

Reduced:

O3N8C43H50 (1)

Stoich.:

A3B8C43D50 (1)

Weight, g/mol:

1008.652948

ΔHf, kcal/mol:

-30.6

Dipole, Da:

7.64

IP(EA), eV:

 -8.12(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[(3-methyl-2-oxobutyl)amino]-1-oxopentan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C8CCC(CC8)(C)C(=O)O)C

DOS

IR

Vibrations