Geometry & MOs

Info

ID:	297398
PubChem CID:	117616837
Reduced:	SN2O5C9H12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	653.22051
ΔH_f, kcal/mol:	-224.18
Dipole, Da:	3.65
IP(EA), eV:	-9.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-[4-chloro-5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-6-oxo-5-phenylmethoxy-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]carbamate

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1)C2[C@@H]([C@@H]([C@H](S2)CO)O)O

DOS

IR

Vibrations