Geometry & MOs

Info

ID:	318334
PubChem CID:	126650539
Reduced:	BrClOSN5H13C14 (1)
Stoich.:	ABCDE5F13G14 (1)
Weight, g/mol:	269.072179
ΔH_f, kcal/mol:	52.37
Dipole, Da:	2.42
IP(EA), eV:	-8.91(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methoxy-N-methyl-3-(3-methylsulfonylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(OC1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC=C(S4)Br

DOS

IR

Vibrations