Geometry & MOs

Info

ID:	234858
PubChem CID:	92303613
Reduced:	S2N3O3C17H29 (1)
Stoich.:	A2B3C3D17E29 (1)
Weight, g/mol:	387.165034
ΔH_f, kcal/mol:	-138.11
Dipole, Da:	7.14
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[5-[[(3R)-3,5,5-trimethylhexanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

Drug info:

PubChemData

Smile

CC[C@H](C(=O)OCC)SC1=NN=C(S1)NC(=O)C[C@@H](C)CC(C)(C)C

DOS

IR

Vibrations