Geometry & MOs

Info

ID:	349250
PubChem CID:	127274976
Reduced:	SO2N7C17H21 (1)
Stoich.:	AB2C7D17E21 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	19.41
Dipole, Da:	0.86
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[2-oxo-2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]ethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations