Geometry & MOs

Info

ID:	209023
PubChem CID:	80614995
Reduced:	OS2N5C7H7 (1)
Stoich.:	AB2C5D7E7 (1)
Weight, g/mol:	257.094646
ΔH_f, kcal/mol:	49.73
Dipole, Da:	3.14
IP(EA), eV:	-9.14(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-oxobutyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)C2=NN=C(S2)N

DOS

IR

Vibrations