Geometry & MOs

Info

ID:	148012
PubChem CID:	53787674
Reduced:	NOC12H15 (2)
Stoich.:	ABC12D15 (2)
Weight, g/mol:	377.125671
ΔH_f, kcal/mol:	-33.19
Dipole, Da:	1.81
IP(EA), eV:	-7.77(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-(carboxymethylamino)-3-(4-hydroxybut-2-enylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC(=CC=C2)OCCCCN3C=C4C=CC=CC4=C3O

DOS

IR

Vibrations