Geometry & MOs

Info

ID:	375197
PubChem CID:	131472831
Reduced:	NOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-11.25
Dipole, Da:	3.81
IP(EA), eV:	-8.53(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-8-tert-butyl-3,4-dihydro-2H-chromen-5-ol

Drug info:

PubChemData

Smile

CC1=C(N2C(=C1)SC=C2CC(C)C)C=O

DOS

IR

Vibrations