Geometry & MOs

Info

ID:	41743
PubChem CID:	8147016
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	398.071658
ΔH_f, kcal/mol:	-25.22
Dipole, Da:	3.18
IP(EA), eV:	-9.01(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)COC2=NC=NC3=C2C=NN3C4=CC=CC=C4

DOS

IR

Vibrations