Geometry & MOs

Info

ID:	425046
PubChem CID:	135124956
Reduced:	S2F3O3N7C36H40 (1)
Stoich.:	A2B3C3D7E36F40 (1)
Weight, g/mol:	296.027393
ΔH_f, kcal/mol:	-168.8
Dipole, Da:	12.94
IP(EA), eV:	-8.52(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[(4-methoxyphenyl)methoxymethyl]thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

CC[C@H]1CC2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)N(C1)CC3=C(SC(=N3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)NC6=CN=CC=C6)C

DOS

IR

Vibrations