Geometry & MOs

Info

ID:	309133
PubChem CID:	126538211
Reduced:	N2O5C27H34 (1)
Stoich.:	A2B5C27D34 (1)
Weight, g/mol:	374.097666
ΔH_f, kcal/mol:	-189.43
Dipole, Da:	13.29
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-benzyl-10-oxothioxanthen-9-yl) prop-2-enoate

Drug info:

PubChemData

Smile

CC1(CC[C@@H]2[C@H]1N3C=C(C(=O)C=C3C4=CC(=C(C=C24)OCCCN5CCCC5)OC)C(=O)O)C

DOS

IR

Vibrations