Geometry & MOs

Info

ID:	62907
PubChem CID:	26737583
Reduced:	SN4O4C23H26 (1)
Stoich.:	AB4C4D23E26 (1)
Weight, g/mol:	354.121572
ΔH_f, kcal/mol:	-65.7
Dipole, Da:	11.3
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R)-4-(2-methoxy-5-nitrophenyl)-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CN(N=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations