Geometry & MOs

Info

ID:	77942
PubChem CID:	49679316
Reduced:	SO3N4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	392.072531
ΔH_f, kcal/mol:	-98.21
Dipole, Da:	10.23
IP(EA), eV:	-9.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[5-(cyclopropylcarbamoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)CC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations