Geometry & MOs

Info

ID:	165194
PubChem CID:	74515440
Reduced:	SN2O6C25H26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	341.053335
ΔH_f, kcal/mol:	-164.06
Dipole, Da:	4.39
IP(EA), eV:	-8.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethylsulfonyl)phenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=CC(=O)NCCN2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)SC2=O

DOS

IR

Vibrations