Geometry & MOs

Info

ID:	59770
PubChem CID:	24896466
Reduced:	SO2N5C24H27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	564.083047
ΔH_f, kcal/mol:	18.96
Dipole, Da:	4.24
IP(EA), eV:	-7.86(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-benzyl-N-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)CCN2C=NC(=C3C2=NC(=N3)SC4=C(C=CC(=C4)OC)OC)N)C

DOS

IR

Vibrations