Geometry & MOs

Info

ID:	167125
PubChem CID:	74784009
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	10.26
Dipole, Da:	5.42
IP(EA), eV:	-8.94(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC(=NN1C2=NC(=O)C3CCCCC3=N2)C4=CC=CS4

DOS

IR

Vibrations