Geometry & MOs

Info

ID:	304331
PubChem CID:	124530989
Reduced:	BrSN2O5C29H31 (1)
Stoich.:	ABC2D5E29F31 (1)
Weight, g/mol:	542.147135
ΔH_f, kcal/mol:	-134.69
Dipole, Da:	2.24
IP(EA), eV:	-9.15(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)/C=C\2/C(=O)N3[C@@H](C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)C(C)C)OC

DOS

IR

Vibrations