Geometry & MOs

Info

ID:	64032
PubChem CID:	26759719
Reduced:	SN2O6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	482.05111
ΔH_f, kcal/mol:	-203.53
Dipole, Da:	8.2
IP(EA), eV:	-9.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-bromophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations