Geometry & MOs

Info

ID:	61626
PubChem CID:	26711236
Reduced:	ClSN3O5C18H20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	344.09277
ΔH_f, kcal/mol:	-152.76
Dipole, Da:	2.8
IP(EA), eV:	-8.77(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[2-(4-chlorophenyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC[C@@H]3CCCO3

DOS

IR

Vibrations