Geometry & MOs

Info

ID:	41257
PubChem CID:	8145547
Reduced:	FS2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	364.238888
ΔH_f, kcal/mol:	60.39
Dipole, Da:	5.27
IP(EA), eV:	-8.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)F)C4=CC=CS4

DOS

IR

Vibrations