Geometry & MOs

Info

ID:	44947
PubChem CID:	10506740
Reduced:	NC4H6 (8)
Stoich.:	AB4C6 (8)
Weight, g/mol:	545.219572
ΔH_f, kcal/mol:	231.82
Dipole, Da:	2.58
IP(EA), eV:	-8.22(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

C1CN2CCN1CC#CCN3CCN(CC3)CC#CCN4CCN(CC4)CC#CCN5CCN(CC5)CC#CC2

DOS

IR

Vibrations