Geometry & MOs

Info

ID:	41744
PubChem CID:	8147017
Reduced:	ClOSN6H15C18 (1)
Stoich.:	ABCD6E15F18 (1)
Weight, g/mol:	378.12628
ΔH_f, kcal/mol:	86.38
Dipole, Da:	6.21
IP(EA), eV:	-9.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C

DOS

IR

Vibrations