Geometry & MOs

Info

ID:	382059
PubChem CID:	134972974
Reduced:	S3N10O15C29H54 (1)
Stoich.:	A3B10C15D29E54 (1)
Weight, g/mol:	334.135765
ΔH_f, kcal/mol:	-653.4
Dipole, Da:	3.12
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-phenylbenzo[e][1]benzofuran

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1C(C([C@@H](C(O1)CO)O)NC(=S)N[C@H]2C(C([C@@H](C(O2)CN)O)NC(=S)N[C@H]3C(C([C@@H](C(O3)CO)O)NC(=S)N[C@H]4C(C([C@@H](C(O4)CN)O)N)O)O)O)O

DOS

IR

Vibrations