Geometry & MOs

Info

ID:	392731
PubChem CID:	135017762
Reduced:	NSO7H21C26 (1)
Stoich.:	ABC7D21E26 (1)
Weight, g/mol:	418.169958
ΔH_f, kcal/mol:	-177.41
Dipole, Da:	6.2
IP(EA), eV:	-8.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-4-(4-chlorophenyl)-2-ethoxy-2-phenylchromene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC4=C3[C@H]([C@@H](O4)C5=CC6=C(C=C5)OCO6)C(=O)OC

DOS

IR

Vibrations