Geometry & MOs

Info

ID:	218097
PubChem CID:	85088876
Reduced:	N3O5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	429.081698
ΔH_f, kcal/mol:	-193.17
Dipole, Da:	6.46
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) 5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCC2=CC=CO2)NC(C)C(=O)O

DOS

IR

Vibrations