Geometry & MOs

Info

ID:	236951
PubChem CID:	92716385
Reduced:	ClN2S2O4C17H17 (1)
Stoich.:	AB2C2D4E17F17 (1)
Weight, g/mol:	412.031827
ΔH_f, kcal/mol:	-120.59
Dipole, Da:	4.04
IP(EA), eV:	-9.0(-1.1)
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-[(3S)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1NC(=O)C2=CC=C(S2)N3CCOC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations