Geometry & MOs

Info

ID:	16667
PubChem CID:	474613
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-157.98
Dipole, Da:	6.16
IP(EA), eV:	-9.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2,2-bis(hydroxymethyl)cyclopropyl]methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(N(C(=O)NC1=O)CC2CC2(CO)CO)SC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations