Geometry & MOs

Info

ID:	56321
PubChem CID:	17425095
Reduced:	FNO2H10C16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	379.121529
ΔH_f, kcal/mol:	-63.89
Dipole, Da:	5.47
IP(EA), eV:	-9.77(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C/C3=CC=C(C=C3)F)/C(=O)NC2=O

DOS

IR

Vibrations