Geometry & MOs

Info

ID:	221499
PubChem CID:	85273785
Reduced:	NSO5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-177.88
Dipole, Da:	4.13
IP(EA), eV:	-9.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-2-phenylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N=C2CCCC(O2)C(=O)OC

DOS

IR

Vibrations