Geometry & MOs

Info

ID:	213715
PubChem CID:	81064762
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	300.114378
ΔH_f, kcal/mol:	-153.39
Dipole, Da:	3.11
IP(EA), eV:	-9.81(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations