Geometry & MOs

Info

ID:	37741
PubChem CID:	8023923
Reduced:	F2N3O3H19C21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-166.99
Dipole, Da:	1.61
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)N2CCCC3=CC=CC=C32)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations