Geometry & MOs

Info

ID:	42373
PubChem CID:	8149486
Reduced:	ClO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	417.213795
ΔH_f, kcal/mol:	-58.58
Dipole, Da:	7.62
IP(EA), eV:	-7.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-[(R)-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-morpholin-4-ium-4-ylmethyl]benzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations