Geometry & MOs

Info

ID:	61244
PubChem CID:	26707382
Reduced:	FO3N5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	431.080347
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	14.68
IP(EA), eV:	-8.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-chloro-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4F

DOS

IR

Vibrations