Geometry & MOs

Info

ID:	61636
PubChem CID:	26711286
Reduced:	Cl2S2N3O4C17H19 (1)
Stoich.:	A2B2C3D4E17F19 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-114.62
Dipole, Da:	7.74
IP(EA), eV:	-8.39(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-4-(4-piperidin-1-ylsulfonylbenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)[C@@H](CCSC)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations