Geometry & MOs

Info

ID:	140073
PubChem CID:	52642161
Reduced:	SO4N5C23H29 (1)
Stoich.:	AB4C5D23E29 (1)
Weight, g/mol:	325.182398
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	5.59
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methoxyethyl)-N-pentan-3-ylacetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N=C2CCCN2C)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations