Geometry & MOs

Info

ID:	431972
PubChem CID:	135172100
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	447.230411
ΔH_f, kcal/mol:	-124.34
Dipole, Da:	4.69
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NC=C(C=C2)CO

DOS

IR

Vibrations