Geometry & MOs

Info

ID:	366402
PubChem CID:	127319883
Reduced:	SN4O4C18H26 (1)
Stoich.:	AB4C4D18E26 (1)
Weight, g/mol:	309.125946
ΔH_f, kcal/mol:	-166.86
Dipole, Da:	3.95
IP(EA), eV:	-9.49(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)C(=O)N

DOS

IR

Vibrations