Geometry & MOs

Info

ID:	38449
PubChem CID:	8077593
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	405.129317
ΔH_f, kcal/mol:	-206.29
Dipole, Da:	5.0
IP(EA), eV:	-9.19(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@@]1(C[C@H]([C@H]([C@H](C1)OCC2CC2)O)O)OCC3=CC=CC=C3

DOS

IR

Vibrations