Geometry & MOs

Info

ID:	142672
PubChem CID:	53074299
Reduced:	SO3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	421.157246
ΔH_f, kcal/mol:	-31.17
Dipole, Da:	6.73
IP(EA), eV:	-8.9(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-(13-methyl-5-oxo-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=C2C4=NN(C(=O)N4C=N3)CC(=O)NC5=CC(=CC=C5)OC

DOS

IR

Vibrations