Geometry & MOs

Info

ID:	278035
PubChem CID:	103832882
Reduced:	O2N3C10H19 (1)
Stoich.:	A2B3C10D19 (1)
Weight, g/mol:	242.120132
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	3.19
IP(EA), eV:	-9.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C1=NC(=NO1)C(C)OC)N

DOS

IR

Vibrations