Geometry & MOs

Info

ID:	9159
PubChem CID:	86754
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-115.82
Dipole, Da:	3.68
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylmethyl benzoate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SCOC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations