Geometry & MOs

Info

ID:	398765
PubChem CID:	135035295
Reduced:	BrOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	409.098394
ΔH_f, kcal/mol:	19.65
Dipole, Da:	4.81
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-formyl-3-[(4-methylphenyl)sulfonylamino]phenyl]benzoate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)Br)N(C1=O)C)CSC#N

DOS

IR

Vibrations