Geometry & MOs

Info

ID:	431939
PubChem CID:	135172066
Reduced:	N2O2C27H44 (1)
Stoich.:	A2B2C27D44 (1)
Weight, g/mol:	404.303893
ΔH_f, kcal/mol:	-136.46
Dipole, Da:	5.75
IP(EA), eV:	-7.99(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[cyclohexyl(2-methylpropyl)amino]-3-(4-hydroxybutan-2-ylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CCCC(C1)NC2=C(C=CC(=C2)[C@H](C)CC(=O)O)N(CC(C)C)C3CCCCC3

DOS

IR

Vibrations