Geometry & MOs

Info

ID:	301844
PubChem CID:	123097445
Reduced:	BrSN4O4H25C26 (1)
Stoich.:	ABC4D4E25F26 (1)
Weight, g/mol:	394.075406
ΔH_f, kcal/mol:	1.85
Dipole, Da:	4.15
IP(EA), eV:	-9.43(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chloroanilino)-2-oxoethyl]sulfinyl-N-(2-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(O1)CSC2=NN=C(N2N/C=C/3\C=CC(=O)C(=C3)Br)CCC4=CC=CC=C4

DOS

IR

Vibrations