Geometry & MOs

Info

ID:	213257
PubChem CID:	81063274
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	299.093977
ΔH_f, kcal/mol:	-147.23
Dipole, Da:	5.07
IP(EA), eV:	-9.21(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations