Geometry & MOs

Info

ID:	178231
PubChem CID:	76298642
Reduced:	BrSN3O3H12C17 (1)
Stoich.:	ABC3D3E12F17 (1)
Weight, g/mol:	442.99284
ΔH_f, kcal/mol:	21.62
Dipole, Da:	6.09
IP(EA), eV:	-9.55(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-bromo-2-oxopyridin-3-ylidene)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)N=C3C=C(C=NC3=O)Br

DOS

IR

Vibrations