Geometry & MOs

Info

ID:	130780
PubChem CID:	51106119
Reduced:	SN3O5C15H15 (1)
Stoich.:	AB3C5D15E15 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-147.96
Dipole, Da:	5.38
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(4-oxo-1H-quinazolin-2-yl)butanamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC(=CC=C2)NS(=O)(=O)C3=CNC(=C3)C(=O)O

DOS

IR

Vibrations