Geometry & MOs

Info

ID:	192210
PubChem CID:	78245044
Reduced:	ClSN2O5H12C22 (1)
Stoich.:	ABC2D5E12F22 (1)
Weight, g/mol:	376.129731
ΔH_f, kcal/mol:	-13.64
Dipole, Da:	16.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126470
Charge, e:	-1

Chem-info

IUPAC name:

1-[2-(4-oxoquinazolin-3-yl)-2-phenylacetyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations