Geometry & MOs

Info

ID:	41745
PubChem CID:	8147019
Reduced:	OSN6H18C19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	378.12628
ΔH_f, kcal/mol:	89.01
Dipole, Da:	6.03
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-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)S[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3)C

DOS

IR

Vibrations