Geometry & MOs

Info

ID:	276830
PubChem CID:	103825415
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-155.32
Dipole, Da:	3.6
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-hydroxy-2,2-dimethylbutyl)amino]-4-oxobutyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2F)C(=O)NCC(C)(C)CCO

DOS

IR

Vibrations