Geometry & MOs

Info

ID:	39612
PubChem CID:	8141624
Reduced:	F2N2O2C25H26 (1)
Stoich.:	A2B2C2D25E26 (1)
Weight, g/mol:	400.06932
ΔH_f, kcal/mol:	-159.27
Dipole, Da:	7.28
IP(EA), eV:	-9.08(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)F)C5=CC=CC=C5

DOS

IR

Vibrations