Geometry & MOs

Info

ID:	68669
PubChem CID:	46508871
Reduced:	Cl2O4N5C21H29 (1)
Stoich.:	A2B4C5D21E29 (1)
Weight, g/mol:	476.182648
ΔH_f, kcal/mol:	-175.3
Dipole, Da:	8.51
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CCOC)CC(=O)NC(C)C2=C(C=C(C=C2)Cl)Cl)N

DOS

IR

Vibrations