Geometry & MOs

Info

ID:	32869
PubChem CID:	7849016
Reduced:	ClFSN2O5H16C17 (1)
Stoich.:	ABCD2E5F16G17 (1)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	-208.74
Dipole, Da:	6.01
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-cyanopropylsulfanyl)-3-[(2S)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)OCC(=O)NC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations