Geometry & MOs

Info

ID:	178507
PubChem CID:	76339791
Reduced:	S2N3O5C15H15 (1)
Stoich.:	A2B3C5D15E15 (1)
Weight, g/mol:	478.240248
ΔH_f, kcal/mol:	-142.93
Dipole, Da:	3.84
IP(EA), eV:	-8.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-6-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)hexanamide

Drug info:

PubChemData

Smile

C1C(N(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N)C(=O)N

DOS

IR

Vibrations