Geometry & MOs

Info

ID:	431837
PubChem CID:	135171951
Reduced:	N2O3C23H36 (1)
Stoich.:	A2B3C23D36 (1)
Weight, g/mol:	420.219512
ΔH_f, kcal/mol:	-129.41
Dipole, Da:	4.37
IP(EA), eV:	-8.49(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3COC3

DOS

IR

Vibrations