Geometry & MOs

Info

ID:	236950
PubChem CID:	92716371
Reduced:	ON5C31H43 (1)
Stoich.:	AB5C31D43 (1)
Weight, g/mol:	412.031827
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	7.4
IP(EA), eV:	-8.34(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1CCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5C)C

DOS

IR

Vibrations