Geometry & MOs

Info

ID:	219669
PubChem CID:	85164414
Reduced:	SSiN4O5C27H28 (1)
Stoich.:	ABC4D5E27F28 (1)
Weight, g/mol:	548.303893
ΔH_f, kcal/mol:	-99.88
Dipole, Da:	3.22
IP(EA), eV:	-9.28(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dibenzyl-1-(cyclopentylmethyl)-5,6-dihydroxy-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3C4C(C(O3)N5C=NC6C5=NC=NC6=O)OC(=S)O4

DOS

IR

Vibrations