Geometry & MOs

Info

ID:	222816
PubChem CID:	85332612
Reduced:	SN2O3C33H38 (1)
Stoich.:	AB2C3D33E38 (1)
Weight, g/mol:	543.374432
ΔH_f, kcal/mol:	-44.43
Dipole, Da:	4.01
IP(EA), eV:	-7.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-4-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCN2C(=O)C=CC3=CC=CC=C3SCCC4=CC=CC=C4)OCCN5CCCCC5

DOS

IR

Vibrations