Geometry & MOs

Info

ID:	192396
PubChem CID:	78264011
Reduced:	SN2O2C17H24 (1)
Stoich.:	AB2C2D17E24 (1)
Weight, g/mol:	413.95822
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	5.48
IP(EA), eV:	-8.41(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,6-difluorophenyl)-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)SCCCOC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations