Geometry & MOs

Info

ID:	240642
PubChem CID:	93616926
Reduced:	ClOSN4C16H17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	3.34
Dipole, Da:	3.9
IP(EA), eV:	-8.65(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

C1CSC2=C([C@H]1NC(=O)CCNC3=NC=CC=N3)C=C(C=C2)Cl

DOS

IR

Vibrations