Geometry & MOs

Info

ID:	38574
PubChem CID:	8137112
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	5.99
IP(EA), eV:	-9.38(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)C=C(S2)C(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations