Geometry & MOs

Info

ID:	175246
PubChem CID:	75872301
Reduced:	SN2O4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-94.09
Dipole, Da:	6.88
IP(EA), eV:	-8.62(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations