Geometry & MOs

Info

ID:	155847
PubChem CID:	56367829
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	476.140593
ΔH_f, kcal/mol:	-139.76
Dipole, Da:	2.16
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-oxo-2-[(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(CCC(=O)NCC(=O)NC2=CN=CC=C2)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations