Geometry & MOs

Info

ID:

80041

PubChem CID:

49832382

Reduced:

ON10C42H44 (1)

Stoich.:

AB10C42D44 (1)

Weight, g/mol:

759.392876

ΔHf, kcal/mol:

152.3

Dipole, Da:

9.77

IP(EA), eV:

 -7.88(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC8=C(C=C7)N=C(N8)CC9=CC=CC=C9)OC

DOS

IR

Vibrations