Geometry & MOs

Info

ID:	73926
PubChem CID:	48421136
Reduced:	ON6C22H36 (1)
Stoich.:	AB6C22D36 (1)
Weight, g/mol:	338.141262
ΔH_f, kcal/mol:	-21.18
Dipole, Da:	4.75
IP(EA), eV:	-8.29(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=C(N=CC=C3)N4CCCC4

DOS

IR

Vibrations