Geometry & MOs

Info

ID:	229344
PubChem CID:	87567446
Reduced:	NO6C14H24 (2)
Stoich.:	AB6C14D24 (2)
Weight, g/mol:	252.074621
ΔH_f, kcal/mol:	-619.41
Dipole, Da:	5.52
IP(EA), eV:	-10.13(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl (2S)-2-amino-3-(4-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)OCCC(OC(=O)CC(=O)O)OC(=O)[C@H](C(C)CC)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations