Geometry & MOs

Info

ID:	178409
PubChem CID:	76323977
Reduced:	SO2N7H21C22 (1)
Stoich.:	AB2C7D21E22 (1)
Weight, g/mol:	491.038978
ΔH_f, kcal/mol:	56.82
Dipole, Da:	7.88
IP(EA), eV:	-8.94(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-3-[4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-6-yl]thiourea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)N=CN=C3SC4=NN=C(O4)C5=CN=CC=C5

DOS

IR

Vibrations