Geometry & MOs

Info

ID:	390361
PubChem CID:	134998699
Reduced:	BrN2O2H31C33 (1)
Stoich.:	AB2C2D31E33 (1)
Weight, g/mol:	193.092521
ΔH_f, kcal/mol:	57.14
Dipole, Da:	2.06
IP(EA), eV:	-9.28(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,2-dimethyl-N-phenylsulfanylpropan-1-imine

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2C(N2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[C@@H](C6=CC=C(C=C6)Br)O)C

DOS

IR

Vibrations