Geometry & MOs

Info

ID:	161502
PubChem CID:	57391833
Reduced:	ON6H18C24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	106.87
Dipole, Da:	7.02
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-amino-5-methoxyphenyl)-2,2-dimethyl-1,3,4-thiadiazol-3-yl]-cyclohexylmethanone

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=C5C(=NC=C4)N=CN5

DOS

IR

Vibrations