Geometry & MOs

Info

ID:	32565
PubChem CID:	7845204
Reduced:	OSN5C14H23 (1)
Stoich.:	ABC5D14E23 (1)
Weight, g/mol:	373.118416
ΔH_f, kcal/mol:	0.39
Dipole, Da:	3.69
IP(EA), eV:	-9.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1N)S[C@H](C)C(=O)NCCC2=CCCCC2

DOS

IR

Vibrations