Geometry & MOs

Info

ID:	178560
PubChem CID:	76349213
Reduced:	ClO2S2N4H13C18 (1)
Stoich.:	AB2C2D4E13F18 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	62.22
Dipole, Da:	4.54
IP(EA), eV:	-8.61(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-dimethyl-5-[4-(4-oxo-4aH-quinazolin-2-yl)butanoylamino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C=CC2=C(N=C3N2C=CS3)Cl)OCC4=CSC=N4

DOS

IR

Vibrations