Geometry & MOs

Info

ID:	221675
PubChem CID:	85285878
Reduced:	SSiN2O5C31H40 (1)
Stoich.:	ABC2D5E31F40 (1)
Weight, g/mol:	581.2162
ΔH_f, kcal/mol:	-123.12
Dipole, Da:	3.01
IP(EA), eV:	-9.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dibenzoyloxy-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCCCCC=CCN(C3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)C

DOS

IR

Vibrations