Geometry & MOs

Info

ID:	157368
PubChem CID:	56423128
Reduced:	OS3N4H14C21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	407.076219
ΔH_f, kcal/mol:	110.78
Dipole, Da:	0.84
IP(EA), eV:	-9.3(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)NCC4=NC(=CS4)C5=CC=NC=C5

DOS

IR

Vibrations