Geometry & MOs

Info

ID:	193253
PubChem CID:	78364880
Reduced:	OSF2N5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	469.14199
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	10.14
IP(EA), eV:	-8.94(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C2NC3C4C(CC(NC4SC3C(=O)N2)C(F)F)C5=CC=CC=C5

DOS

IR

Vibrations