Geometry & MOs

Info

ID:	415799
PubChem CID:	135088800
Reduced:	FN2S2O5C14H21 (1)
Stoich.:	AB2C2D5E14F21 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-232.09
Dipole, Da:	4.39
IP(EA), eV:	-9.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations