Geometry & MOs

Info

ID:	79273
PubChem CID:	49747748
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	408.100748
ΔH_f, kcal/mol:	-50.93
Dipole, Da:	5.14
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)CCC2=CSC=C2)N3CCOCC3

DOS

IR

Vibrations