Geometry & MOs

Info

ID:	158926
PubChem CID:	57244216
Reduced:	SO2C7H14 (1)
Stoich.:	AB2C7D14 (1)
Weight, g/mol:	432.128114
ΔH_f, kcal/mol:	-95.56
Dipole, Da:	6.05
IP(EA), eV:	-10.43(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[2-methyl-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CCC=C(C)S(=O)(=O)CC

DOS

IR

Vibrations