Geometry & MOs

Info

ID:	41889
PubChem CID:	8147663
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	399.082367
ΔH_f, kcal/mol:	-78.77
Dipole, Da:	5.22
IP(EA), eV:	-8.87(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[ethyl-[(2-sulfanylidene-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O

DOS

IR

Vibrations