Geometry & MOs

Info

ID:	61037
PubChem CID:	26704597
Reduced:	N5O6C25H29 (1)
Stoich.:	A5B6C25D29 (1)
Weight, g/mol:	482.172083
ΔH_f, kcal/mol:	-206.66
Dipole, Da:	5.06
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)C(=O)N(CCCOC)C2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N

DOS

IR

Vibrations