Geometry & MOs

Info

ID:	194496
PubChem CID:	78545879
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-101.85
Dipole, Da:	4.32
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CCC(C)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NC(=CC(=N2)C)C

DOS

IR

Vibrations