Geometry & MOs

Info

ID:	431902
PubChem CID:	135172023
Reduced:	ClN3O3C25H34 (1)
Stoich.:	AB3C3D25E34 (1)
Weight, g/mol:	405.219846
ΔH_f, kcal/mol:	-113.91
Dipole, Da:	7.27
IP(EA), eV:	-8.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-4-[bis(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(C=C3)Cl

DOS

IR

Vibrations