Geometry & MOs

Info

ID:	51749
PubChem CID:	12014479
Reduced:	OC9H14 (1)
Stoich.:	AB9C14 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	2.23
IP(EA), eV:	-9.22(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-ethylthiourea

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1C=CC=C1)O

DOS

IR

Vibrations