Geometry & MOs

Info

ID:	218326
PubChem CID:	85089175
Reduced:	NSSeO2C22H27 (1)
Stoich.:	ABCD2E22F27 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-28.02
Dipole, Da:	6.21
IP(EA), eV:	-8.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-4-methyl-2-[phenyl-[4-(piperazine-1-carbonyl)phenyl]methoxy]pentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC=C[Se]C2=CC=CC=C2)CC=C(C)C

DOS

IR

Vibrations