Geometry & MOs

Info

ID:	167669
PubChem CID:	74855633
Reduced:	SN4O7C22H22 (1)
Stoich.:	AB4C7D22E22 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-216.17
Dipole, Da:	3.66
IP(EA), eV:	-9.24(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[4-[3-(2-methyl-1H-indol-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)COC(=O)C3=C(C4C(=NC(=NC4=O)C)S3)C

DOS

IR

Vibrations