Geometry & MOs

Info

ID:	308458
PubChem CID:	125333160
Reduced:	SF2N3O3H19C22 (1)
Stoich.:	AB2C3D3E19F22 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-94.36
Dipole, Da:	4.1
IP(EA), eV:	-8.95(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-8-methoxy-3-[(Z)-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methylideneamino]-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

C1CN(CCS[C@H]1C2=C(C=CC(=C2)F)F)C(=O)C3=NN=C(C3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations