Geometry & MOs

Info

ID:	157468
PubChem CID:	56430343
Reduced:	ClSN2O5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	421.091869
ΔH_f, kcal/mol:	-185.55
Dipole, Da:	5.47
IP(EA), eV:	-9.19(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations