Geometry & MOs

Info

ID:	165755
PubChem CID:	74593004
Reduced:	N2O2C10H15 (2)
Stoich.:	A2B2C10D15 (2)
Weight, g/mol:	445.178376
ΔH_f, kcal/mol:	-171.23
Dipole, Da:	6.77
IP(EA), eV:	-8.66(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-propyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC)C(=O)CC2=CC=C(C=C2)OCC)N

DOS

IR

Vibrations