Geometry & MOs

Info

ID:	37095
PubChem CID:	8016859
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	407.12161
ΔH_f, kcal/mol:	-159.18
Dipole, Da:	1.61
IP(EA), eV:	-8.83(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(10bS)-1,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2-cyanoethyl)-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1N2CCOCC2)N3C(=O)[C@@H]4CCCC[C@H]4C3=O

DOS

IR

Vibrations