Geometry & MOs

Info

ID:	134148
PubChem CID:	51652839
Reduced:	O2S2N4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	466.149718
ΔH_f, kcal/mol:	-30.79
Dipole, Da:	4.86
IP(EA), eV:	-8.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-acetylphenyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NN=C(S2)NC3CCCCC3

DOS

IR

Vibrations