Geometry & MOs

Info

ID:	244343
PubChem CID:	99344184
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	8.93
IP(EA), eV:	-9.11(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations