Geometry & MOs

Info

ID:	68525
PubChem CID:	46508588
Reduced:	NS2O4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-113.91
Dipole, Da:	2.66
IP(EA), eV:	-9.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(CC3=CC=CS3)C4CCS(=O)(=O)C4)C

DOS

IR

Vibrations