Geometry & MOs

Info

ID:	312564
PubChem CID:	126606530
Reduced:	NC11H23 (1)
Stoich.:	AB11C23 (1)
Weight, g/mol:	333.172228
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	1.64
IP(EA), eV:	-8.9(3.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5S)-4,5-dihydroxy-6-[(oxan-4-ylamino)methyl]oxan-3-yl]-3-ethylthiourea

Drug info:

PubChemData

Smile

CC1(CCCCC1)CCCNC

DOS

IR

Vibrations