Geometry & MOs

Info

ID:	444655
PubChem CID:	135263147
Reduced:	SN3O4C31H39 (1)
Stoich.:	AB3C4D31E39 (1)
Weight, g/mol:	351.00799
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	6.06
IP(EA), eV:	-8.07(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-4-(6-iodo-2-methoxypyrimidin-4-yl)morpholin-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC(=C(C=C3)N4CCS(=O)(=O)CC4)C)N5CCCCC5

DOS

IR

Vibrations