Geometry & MOs

Info

ID:	172729
PubChem CID:	75544622
Reduced:	O2S2N3C20H23 (1)
Stoich.:	A2B2C3D20E23 (1)
Weight, g/mol:	487.192963
ΔH_f, kcal/mol:	-54.0
Dipole, Da:	3.5
IP(EA), eV:	-8.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-benzyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2=C3NC(=O)C4CC(CCC4N3C(=S)S2)C

DOS

IR

Vibrations