Geometry & MOs

Info

ID:	243
PubChem CID:	2395
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	352.156912
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	7.52
IP(EA), eV:	-9.26(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-3-sulfanylpent-3-enyl] 2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCOC(=O)C(C)C)S)C

DOS

IR

Vibrations