Geometry & MOs

Info

ID:	168165
PubChem CID:	74931831
Reduced:	SN4O12C22H26 (1)
Stoich.:	AB4C12D22E26 (1)
Weight, g/mol:	373.179027
ΔH_f, kcal/mol:	-430.07
Dipole, Da:	3.69
IP(EA), eV:	-9.9(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-benzyl-6-methoxy-12-methyl-2,12,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,4,6,8-pentaen-16-one

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)OCC2=CN(N=N2)C3=CC=C(C=C3)S(=O)(=O)N)OC(=O)C

DOS

IR

Vibrations