Geometry & MOs

Info

ID:	445896
PubChem CID:	135269889
Reduced:	SO2N5C27H35 (1)
Stoich.:	AB2C5D27E35 (1)
Weight, g/mol:	407.293663
ΔH_f, kcal/mol:	60.48
Dipole, Da:	3.16
IP(EA), eV:	-8.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(diethylaminomethyl)phenyl]-[2,6-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)S(=O)C1CC=C(C=C1)C(=N/C(=C(/[C@H]2CN2)\N=C)/C(=O)/C=C(/C3=CC=C(C=C3)CNC)\N)C

DOS

IR

Vibrations