Geometry & MOs

Info

ID:	427528
PubChem CID:	135159622
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	478.114476
ΔH_f, kcal/mol:	-54.22
Dipole, Da:	3.09
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,5R)-3-(4-fluoro-2-methylphenyl)-5-(methanesulfonamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CN(CCN2C(=NC1)C3=NC=CS3)C(=O)C4CC4C

DOS

IR

Vibrations