Geometry & MOs

Info

ID:	38692
PubChem CID:	8137741
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-4.04
Dipole, Da:	3.57
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations