Geometry & MOs

Info

ID:	309534
PubChem CID:	126547186
Reduced:	NC11H19 (1)
Stoich.:	AB11C19 (1)
Weight, g/mol:	396.00626
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	2.06
IP(EA), eV:	-8.38(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(E)-N-tert-butylsulfanyl-C-(4-chlorophenyl)carbonimidoyl]aniline

Drug info:

PubChemData

Smile

CC[C@H](C)C1=C(C=CN1)C(C)C

DOS

IR

Vibrations