Geometry & MOs

Info

ID:	245039
PubChem CID:	99432215
Reduced:	N3O5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	446.151158
ΔH_f, kcal/mol:	-214.97
Dipole, Da:	1.95
IP(EA), eV:	-8.92(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[4-(oxan-4-ylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=O)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations