Geometry & MOs

Info

ID:	219361
PubChem CID:	85147166
Reduced:	PO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	394.131091
ΔH_f, kcal/mol:	-277.35
Dipole, Da:	2.64
IP(EA), eV:	-8.49(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]pent-2-en-2-yl]formamide

Drug info:

PubChemData

Smile

CC(C(=O)C=CC1=CC(=C(C2=C1CCCC2)O)C(C)(C)C)P(=O)(OC)OC

DOS

IR

Vibrations