Geometry & MOs

Info

ID:	176121
PubChem CID:	75999180
Reduced:	SO3N5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	421.120861
ΔH_f, kcal/mol:	59.19
Dipole, Da:	8.45
IP(EA), eV:	-8.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3-propan-2-yloxadiazol-3-ium-5-yl)ethanimidate

Drug info:

PubChemData

Smile

CC[N+]1=NOC(=C1)N=C(CSC2=NC(=CC3=CC=C(C=C3)C)C(=O)N2C4=CC=CC=C4)[O-]

DOS

IR

Vibrations