Geometry & MOs

Info

ID:	204526
PubChem CID:	79977510
Reduced:	BrOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	319.085384
ΔH_f, kcal/mol:	0.3
Dipole, Da:	1.9
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxyprop-1-ynyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=CC3=C(C=C2)N(C(=O)CC3)C)N)Br

DOS

IR

Vibrations