Geometry & MOs

Info

ID:	121385
PubChem CID:	50765892
Reduced:	BrSO3N4C23H23 (1)
Stoich.:	ABC3D4E23F23 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-8.95
Dipole, Da:	3.6
IP(EA), eV:	-8.46(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-ethyl-N-(4-ethylphenyl)-2'-oxospiro[3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole-5,3'-indole]-6-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations