Geometry & MOs

Info

ID:	258322
PubChem CID:	103152901
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	319.039355
ΔH_f, kcal/mol:	-174.57
Dipole, Da:	4.34
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations