Geometry & MOs

Info

ID:	449689
PubChem CID:	135300660
Reduced:	N8O8C31H46 (1)
Stoich.:	A8B8C31D46 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-342.16
Dipole, Da:	8.05
IP(EA), eV:	-8.41(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(4-methoxyphenyl)-2-(methylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1=CC=C(C=C1)NC[C@H](CCCNC(=O)N)NC(=O)[C@H](CCCNC(=O)N)NC(=O)CCN2C(=O)C=CC2=O

DOS

IR

Vibrations