Geometry & MOs

Info

ID:	169534
PubChem CID:	75117724
Reduced:	SN3O5C15H27 (1)
Stoich.:	AB3C5D15E27 (1)
Weight, g/mol:	471.146407
ΔH_f, kcal/mol:	-241.5
Dipole, Da:	3.65
IP(EA), eV:	-9.46(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(6,7-dimethoxy-4-oxo-6H-quinazolin-2-yl)methylsulfanyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCOCC1)NC(=O)NC2CCS(=O)(=O)C2

DOS

IR

Vibrations