Geometry & MOs

Info

ID:	375803
PubChem CID:	134221793
Reduced:	SN2O6H26C27 (1)
Stoich.:	AB2C6D26E27 (1)
Weight, g/mol:	512.02668
ΔH_f, kcal/mol:	-173.36
Dipole, Da:	7.78
IP(EA), eV:	-8.74(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-[4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl]-1-[iodo(methyl)amino]-1-oxopropan-2-yl] methanethioate

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)C(=O)COC2=CC=C(C=C2)CC3(C(=O)NC(S3)O)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations