Geometry & MOs

Info

ID:	448450
PubChem CID:	135291034
Reduced:	NC18H27 (1)
Stoich.:	AB18C27 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	4.2
Dipole, Da:	1.63
IP(EA), eV:	-8.77(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-1-(methylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1NCC3=CC=C(C=C3)C

DOS

IR

Vibrations