Geometry & MOs

Info

ID:	65449
PubChem CID:	38671676
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	483.02523
ΔH_f, kcal/mol:	-66.16
Dipole, Da:	3.17
IP(EA), eV:	-8.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-bromo-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=CC=CC=C2N1C(=O)[C@@H](C)OC(=O)C3=C(N=C4C(=C3)C(=NN4C)C)C

DOS

IR

Vibrations