Geometry & MOs

Info

ID:	32778
PubChem CID:	7848263
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	3.89
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)OCC(=O)N1[C@@H](CC(=N1)C2=CC=C(C=C2)OC)C3=CC=CO3

DOS

IR

Vibrations