Geometry & MOs

Info

ID:	173487
PubChem CID:	75643756
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	360.058892
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	2.58
IP(EA), eV:	-8.85(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylquinazolin-4-olate

Drug info:

PubChemData

Smile

CC1C(C(=O)N2C(N1)C(C(N2)COC)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations