Geometry & MOs

Info

ID:	233066
PubChem CID:	87692377
Reduced:	N3S3O12H29C31 (1)
Stoich.:	A3B3C12D29E31 (1)
Weight, g/mol:	340.02113
ΔH_f, kcal/mol:	-353.09
Dipole, Da:	4.59
IP(EA), eV:	-8.29(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromoprop-2-enyl)-4-phenylquinazolin-2-one

Drug info:

PubChemData

Smile

CN(C1=CC2=C(C=C1)N(/C(=C\C=C\C=C/3\C(=O)C4=CC=CC=C4S3(=O)=O)/S2)CCCS(=O)(=O)O)C(=O)COCC(=O)ON5C(=O)CCC5=O

DOS

IR

Vibrations