Geometry & MOs

Info

ID:	64033
PubChem CID:	26759722
Reduced:	BrSN2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-158.4
Dipole, Da:	7.29
IP(EA), eV:	-9.2(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations