Geometry & MOs

Info

ID:	153117
PubChem CID:	56312256
Reduced:	SN3O3C24H31 (1)
Stoich.:	AB3C3D24E31 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-99.13
Dipole, Da:	2.39
IP(EA), eV:	-8.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CCC(=O)NC3=CC=CC=C3SC

DOS

IR

Vibrations