Geometry & MOs

Info

ID:	378921
PubChem CID:	134228437
Reduced:	SN4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	525.277613
ΔH_f, kcal/mol:	80.8
Dipole, Da:	6.16
IP(EA), eV:	-9.17(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[[4-[[(8aR)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]methylamino]-5-fluoropyrimidin-2-yl]amino]-2-cyclopropyl-4-fluorophenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C)N2C(=NN=N2)SC

DOS

IR

Vibrations