Geometry & MOs

Info

ID:	432131
PubChem CID:	135172263
Reduced:	O3N4C25H36 (1)
Stoich.:	A3B4C25D36 (1)
Weight, g/mol:	476.245727
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	9.17
IP(EA), eV:	-8.21(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[bis(2-methylpropyl)amino]-3-[[5-(methanesulfonamido)pyridin-2-yl]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)NC(=O)C

DOS

IR

Vibrations