Geometry & MOs

Info

ID:	121358
PubChem CID:	50764797
Reduced:	SN3O5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	501.156971
ΔH_f, kcal/mol:	-175.55
Dipole, Da:	4.43
IP(EA), eV:	-8.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC(C3)C(=O)N(CC)C4=CC=CC=C4

DOS

IR

Vibrations