Geometry & MOs

Info

ID:	37392
PubChem CID:	8020507
Reduced:	N3O5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-208.87
Dipole, Da:	5.78
IP(EA), eV:	-10.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=O)NC1=O)C(=O)COC(=O)[C@@H]2C[C@H]2C)N

DOS

IR

Vibrations