Geometry & MOs

Info

ID:

180793

PubChem CID:

76686600

Reduced:

O2N5C29H29 (1)

Stoich.:

A2B5C29D29 (1)

Weight, g/mol:

836.621145

ΔHf, kcal/mol:

25.66

Dipole, Da:

5.81

IP(EA), eV:

 -8.49(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-amino-4-[[5-(diaminomethylideneamino)-2-(hexadecanoylamino)pentanoyl]amino]-7-[[1-(diaminomethylideneamino)-5-oxoheptan-4-yl]carbamoyl]-5-oxoundecanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C(=O)C=C(C2=CC=C(C=C2)CNC3=CC=CC=C3)N)C4=CN(C(=O)C=C4)C(C)C

DOS

IR

Vibrations