Geometry & MOs

Info

ID:	155258
PubChem CID:	56324513
Reduced:	BrClFN2O2H17C19 (1)
Stoich.:	ABCD2E2F17G19 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	5.17
IP(EA), eV:	-9.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations