Geometry & MOs

Info

ID:	165189
PubChem CID:	74513976
Reduced:	BrFSO2N3H15C20 (1)
Stoich.:	ABCD2E3F15G20 (1)
Weight, g/mol:	375.123736
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	3.56
IP(EA), eV:	-8.95(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)C=CC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations