Geometry & MOs

Info

ID:	162107
PubChem CID:	57393640
Reduced:	O2N3C7H9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	478.068938
ΔH_f, kcal/mol:	-55.77
Dipole, Da:	2.68
IP(EA), eV:	-8.97(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

COC(=O)NC1=C(C=CN=C1)N

DOS

IR

Vibrations