Geometry & MOs

Info

ID:	170159
PubChem CID:	75205085
Reduced:	FSO2N3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	406.089576
ΔH_f, kcal/mol:	-7.36
Dipole, Da:	3.13
IP(EA), eV:	-8.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations