Geometry & MOs

Info

ID:	17650
PubChem CID:	509766
Reduced:	OSN4C33H40 (1)
Stoich.:	ABC4D33E40 (1)
Weight, g/mol:	540.292283
ΔH_f, kcal/mol:	17.93
Dipole, Da:	6.3
IP(EA), eV:	-8.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3,3-diphenylpropylamino)-1,3,4-thiadiazol-2-yl]-2,4,6-tri(propan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)NC2=NN=C(S2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4)C(C)C

DOS

IR

Vibrations