Geometry & MOs

Info

ID:	177112
PubChem CID:	76136224
Reduced:	S2N6O7C15H16 (1)
Stoich.:	A2B6C7D15E16 (1)
Weight, g/mol:	396.102493
ΔH_f, kcal/mol:	-167.59
Dipole, Da:	3.22
IP(EA), eV:	-9.18(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[2-[2-acetamido-4-hydroxy-2-(sulfanylmethyl)butanoyl]oxyethylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O

DOS

IR

Vibrations