Geometry & MOs

Info

ID:	41893
PubChem CID:	8147672
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	420.185807
ΔH_f, kcal/mol:	12.83
Dipole, Da:	7.04
IP(EA), eV:	-9.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-(2,4-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

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CC(C)[C@H](C1=CC=CC=C1)NCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations