Geometry & MOs

Info

ID:	170051
PubChem CID:	75189372
Reduced:	O4N5C20H25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	587.188852
ΔH_f, kcal/mol:	-105.49
Dipole, Da:	6.19
IP(EA), eV:	-9.07(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-oxo-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3C4CCCCC4NN3C=N2

DOS

IR

Vibrations