Geometry & MOs

Info

ID:	290751
PubChem CID:	110001576
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	293.065654
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	6.74
IP(EA), eV:	-8.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]phenyl]methanol

Drug info:

PubChemData

Smile

CN(CC(=O)N[C@H](CO)C1=CC=CC=C1)C2CCSC2

DOS

IR

Vibrations