Geometry & MOs

Info

ID:	171504
PubChem CID:	75384465
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	306.120213
ΔH_f, kcal/mol:	-42.84
Dipole, Da:	6.97
IP(EA), eV:	-8.26(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(3-fluorophenyl)butan-2-ylamino]methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CC1=CC(=CC=C1)NCCCC2=CN(N=C2)C

DOS

IR

Vibrations