Geometry & MOs

Info

ID:	122061
PubChem CID:	50792212
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	420.198383
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	6.17
IP(EA), eV:	-8.13(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-7,14-dimethyl-17-thia-2,8,14-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)NC(=O)NC3=C(C=C(C=C3)C)C)N4CCCCC4)N(C1=O)CC

DOS

IR

Vibrations