Geometry & MOs

Info

ID:	75625
PubChem CID:	48423756
Reduced:	N2O3C17H30 (1)
Stoich.:	A2B3C17D30 (1)
Weight, g/mol:	388.125692
ΔH_f, kcal/mol:	-153.2
Dipole, Da:	3.46
IP(EA), eV:	-9.48(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCC(=O)NC1CCN(CC1)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations