Geometry & MOs

Info

ID:	36500
PubChem CID:	8007700
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	350.087118
ΔH_f, kcal/mol:	5.89
Dipole, Da:	3.74
IP(EA), eV:	-8.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=N\N=C/2\C[C@H]3CC[C@@]2(C3(C)C)C

DOS

IR

Vibrations