Geometry & MOs

Info

ID:	315249
PubChem CID:	126625270
Reduced:	F3N6C26H39 (1)
Stoich.:	A3B6C26D39 (1)
Weight, g/mol:	472.193297
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	3.85
IP(EA), eV:	-8.56(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-butylphenyl)sulfanyl-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CN(N=C1C(C)CC2=NN(C(=C2C)C(C)CCC(C)N3C(=CC(=N3)C(F)(F)F)C(C)C)C)C

DOS

IR

Vibrations