Geometry & MOs

Info

ID:	328920
PubChem CID:	126729227
Reduced:	N3O4C28H43 (1)
Stoich.:	A3B4C28D43 (1)
Weight, g/mol:	624.223535
ΔH_f, kcal/mol:	-198.33
Dipole, Da:	1.94
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(7,7-dimethyl-3,4-dihydro-[1]benzothiolo[3,2-c]xanthen-10-yl)phenyl]-4,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N(C1=O)CC(=O)C2CCCNC23CCCCCCCCCC3)C)C4=CCCC4

DOS

IR

Vibrations