Geometry & MOs

Info

ID:	127209
PubChem CID:	50994507
Reduced:	SO2F3N4H17C20 (1)
Stoich.:	AB2C3D4E17F20 (1)
Weight, g/mol:	419.04807
ΔH_f, kcal/mol:	-172.23
Dipole, Da:	4.01
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[3-bromo-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C

DOS

IR

Vibrations