Geometry & MOs

Info

ID:	37750
PubChem CID:	8024065
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	392.119464
ΔH_f, kcal/mol:	-124.7
Dipole, Da:	4.36
IP(EA), eV:	-9.5(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

DOS

IR

Vibrations