Geometry & MOs

Info

ID:	147837
PubChem CID:	53787495
Reduced:	SN2O2C9H10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	463.104936
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	2.1
IP(EA), eV:	-9.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-(carboxymethylamino)-3-(1,4-dioxonaphthalen-2-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CSC2=C1C(=O)OC(=N2)[C@H](C)N

DOS

IR

Vibrations