Geometry & MOs

Info

ID:	431941
PubChem CID:	135172068
Reduced:	SO3N5C22H33 (1)
Stoich.:	AB3C5D22E33 (1)
Weight, g/mol:	415.319878
ΔH_f, kcal/mol:	-103.21
Dipole, Da:	7.2
IP(EA), eV:	-8.21(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(1-methylpyrrolidin-3-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=NN=C(S2)NC(=O)C

DOS

IR

Vibrations