Geometry & MOs

Info

ID:	33501
PubChem CID:	7886758
Reduced:	O2S2N4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	359.119129
ΔH_f, kcal/mol:	-60.72
Dipole, Da:	4.64
IP(EA), eV:	-8.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)NC(=O)CSC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations