Geometry & MOs

Info

ID:	133596
PubChem CID:	51560267
Reduced:	O2S2N5C25H39 (1)
Stoich.:	A2B2C5D25E39 (1)
Weight, g/mol:	385.124232
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	2.97
IP(EA), eV:	-8.4(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylcarbamoyl)-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCCC1SC2CCCCC2)SC3=NN=C4N3C5CCCCC5C(=O)N4C

DOS

IR

Vibrations