Geometry & MOs

Info

ID:	307937
PubChem CID:	125310802
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	7.89
IP(EA), eV:	-8.91(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(5R)-5-[(2R)-butan-2-yl]sulfanyl-4-(4-methoxyphenyl)-1,5-dihydro-1,2,4-triazol-3-yl]methyl]-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@H](C)S[C@H]1NN=C(N1C2=CC=C(C=C2)OC)CC3=NC(=O)NC(=O)C3

DOS

IR

Vibrations