Geometry & MOs

Info

ID:	61035
PubChem CID:	26704566
Reduced:	ClO5H15C21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	498.166998
ΔH_f, kcal/mol:	-143.82
Dipole, Da:	5.79
IP(EA), eV:	-9.18(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)[C@@H]4CC5=C(O4)C=CC(=C5)Cl

DOS

IR

Vibrations