Geometry & MOs

Info

ID:	178206
PubChem CID:	76294715
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	473.155532
ΔH_f, kcal/mol:	-109.65
Dipole, Da:	11.45
IP(EA), eV:	-8.55(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxypropyl)-7-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCC(CC2NC1=O)C(=O)NC3=CC=CC(=C3)C4=CN5CCCCC5=N4

DOS

IR

Vibrations