Geometry & MOs

Info

ID:	39577
PubChem CID:	8141422
Reduced:	O2N3S3H15C19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	376.063938
ΔH_f, kcal/mol:	34.85
Dipole, Da:	5.92
IP(EA), eV:	-8.72(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N,N-dimethyl-2-[[5-[2-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

DOS

IR

Vibrations