Geometry & MOs

Info

ID:	136630
PubChem CID:	52075810
Reduced:	ClSO2N4C20H25 (1)
Stoich.:	ABC2D4E20F25 (1)
Weight, g/mol:	424.089138
ΔH_f, kcal/mol:	-30.52
Dipole, Da:	6.42
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-ethylsulfanylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NC=C(C(=N1)Cl)C(=O)NC[C@H](C2=CC=C(C=C2)OC)N3CCCC3

DOS

IR

Vibrations