Geometry & MOs

Info

ID:	67442
PubChem CID:	46506487
Reduced:	SN4O4H24C27 (1)
Stoich.:	AB4C4D24E27 (1)
Weight, g/mol:	531.230411
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	7.93
IP(EA), eV:	-8.51(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-8-methoxy-2-sulfanylidene-1,5-dihydropyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C5=C(N4)C=CC(=C5)OC)NC3=S

DOS

IR

Vibrations