Geometry & MOs

Info

ID:	437809
PubChem CID:	135227095
Reduced:	BrSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	446.271548
ΔH_f, kcal/mol:	-42.66
Dipole, Da:	2.63
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-amino-7-[5-(cyclopropylsulfonimidoyl)-2-[(4-methylcyclohexyl)amino]phenyl]-N-methylhept-2-enamide

Drug info:

PubChemData

Smile

CC(=O)SC1=CC(=C(C=C1)OCC2CC2)Br

DOS

IR

Vibrations