Geometry & MOs

Info

ID:	72990
PubChem CID:	48416769
Reduced:	SO3N5C11H15 (1)
Stoich.:	AB3C5D11E15 (1)
Weight, g/mol:	322.117824
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	6.0
IP(EA), eV:	-9.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations