Geometry & MOs

Info

ID:	440696
PubChem CID:	135231011
Reduced:	SO2N7C28H39 (1)
Stoich.:	AB2C7D28E39 (1)
Weight, g/mol:	423.243439
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	5.81
IP(EA), eV:	-8.14(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(dimethylamino)-3-[(E)-1-[4-fluoro-2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-en-2-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=N2)N3CC4(CCC(CC4)(C5=CC=CC=C5)N(C)SC6CCOC6)NC3=O

DOS

IR

Vibrations