Geometry & MOs

Info

ID:	32425
PubChem CID:	7814733
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	377.131031
ΔH_f, kcal/mol:	-150.21
Dipole, Da:	11.28
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations