Geometry & MOs

Info

ID:	136974
PubChem CID:	52133136
Reduced:	OSN6C14H22 (1)
Stoich.:	ABC6D14E22 (1)
Weight, g/mol:	362.152495
ΔH_f, kcal/mol:	15.66
Dipole, Da:	8.53
IP(EA), eV:	-8.59(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C2=NN=C(N2C(C)C)S[C@H](C)C(=O)NC

DOS

IR

Vibrations