Geometry & MOs

Info

ID:	69324
PubChem CID:	46530687
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-33.77
Dipole, Da:	9.08
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)C(=O)N(C)C

DOS

IR

Vibrations