Geometry & MOs

Info

ID:	133914
PubChem CID:	51613618
Reduced:	OSN3C25H27 (1)
Stoich.:	ABC3D25E27 (1)
Weight, g/mol:	452.117271
ΔH_f, kcal/mol:	26.42
Dipole, Da:	4.81
IP(EA), eV:	-8.38(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenoxy)ethyl]-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)N[C@@H]3CCSC4=CC=CC=C34)C

DOS

IR

Vibrations