Geometry & MOs

Info

ID:	36790
PubChem CID:	8012721
Reduced:	O2F3N4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	356.119464
ΔH_f, kcal/mol:	-181.24
Dipole, Da:	3.82
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NCC2=CC=CO2)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations