Geometry & MOs

Info

ID:	405023
PubChem CID:	135072231
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	409.10002
ΔH_f, kcal/mol:	-130.34
Dipole, Da:	3.7
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[2-[bis[(3-chlorophenyl)methyl]amino]phenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC(CCCC=C(C)C)N(OC(=O)C1=CC=CC=C1)S(=O)(=O)C

DOS

IR

Vibrations