Geometry & MOs

Info

ID:	167123
PubChem CID:	74783571
Reduced:	SO3N5C28H29 (1)
Stoich.:	AB3C5D28E29 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	9.21
IP(EA), eV:	-8.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-oxo-5,6,7,8-tetrahydro-4aH-quinazolin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]pentanamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC(=NN2C3NC(CC(=O)N3)C4=CC=CC=C4)C5=CC=CS5

DOS

IR

Vibrations