Geometry & MOs

Info

ID:	142671
PubChem CID:	53073749
Reduced:	S2O3N5C21H23 (1)
Stoich.:	A2B3C5D21E23 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	8.66
IP(EA), eV:	-9.11(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-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

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC3=C2SC(=N3)N4CCCCCC4

DOS

IR

Vibrations