Geometry & MOs

Info

ID:	427547
PubChem CID:	135159761
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	364.193297
ΔH_f, kcal/mol:	-63.87
Dipole, Da:	5.23
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[C-methyl-N-[(Z)-3-methylpent-1-enyl]carbonimidoyl]-6-(methylsulfanylamino)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC/C=C(\C1=NC=CS1)/N\2CCN(C/C2=C(/CC)\C(=O)OCC)C3COC3

DOS

IR

Vibrations