Geometry & MOs

Info

ID:	383060
PubChem CID:	134974563
Reduced:	O7C20H28 (1)
Stoich.:	A7B20C28 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-264.41
Dipole, Da:	4.73
IP(EA), eV:	-8.93(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(7-methoxy-2,2-dimethyl-4-oxo-3H-chromen-6-yl)] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@@H]2C(C3[C@H](O2)OC(O3)(C)C)OCC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations