Geometry & MOs

Info

ID:	224103
PubChem CID:	85338191
Reduced:	IN3O6C25H38 (1)
Stoich.:	AB3C6D25E38 (1)
Weight, g/mol:	605.390082
ΔH_f, kcal/mol:	-262.38
Dipole, Da:	3.25
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[2-(2,6-diaminohexanoylamino)propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCCN(C)CC(=O)C(CC(=O)O)NC(=O)C(CC)NC(=O)CC1=C(C=CC(=C1)I)OC

DOS

IR

Vibrations