Geometry & MOs

Info

ID:	128274
PubChem CID:	51037360
Reduced:	N4O4C29H34 (1)
Stoich.:	A4B4C29D34 (1)
Weight, g/mol:	528.159804
ΔH_f, kcal/mol:	-156.93
Dipole, Da:	1.01
IP(EA), eV:	-8.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[5-[butyl-(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]-3-methylphenoxy]ethyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC2=C(C3=CC=CC=C3N2C(=O)C1)C4=CC(=C(C=C4)C(=O)N)NC5CCC(CC5)OC(=O)CN)C

DOS

IR

Vibrations