Geometry & MOs

Info

ID:	178540
PubChem CID:	76344550
Reduced:	SN4O5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	398.201714
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	8.48
IP(EA), eV:	-9.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-[2-(difluoromethoxy)phenyl]prop-2-enoyl-[2-(dimethylamino)ethyl]amino]acetate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(O1)CON=C(C2=C(N=CC=C2)OC3=CC=CC=C3)N

DOS

IR

Vibrations