Geometry & MOs

Info

ID:	16670
PubChem CID:	474616
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-140.59
Dipole, Da:	5.74
IP(EA), eV:	-9.45(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=O)NC1=O)CC2CC2(CO)CO)SC3=CC=CC=C3

DOS

IR

Vibrations