Geometry & MOs

Info

ID:	339804
PubChem CID:	127261813
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	383.161184
ΔH_f, kcal/mol:	-146.96
Dipole, Da:	4.05
IP(EA), eV:	-9.48(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[(2R)-2-amino-2-chloro-3,3-dimethylbutanoyl]-[(2S)-1-amino-1-oxopropan-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)N(C)C(=O)[C@@H]1CCCN1C(=O)C

DOS

IR

Vibrations