Geometry & MOs

Info

ID:	340036
PubChem CID:	127262045
Reduced:	N4O4C17H30 (1)
Stoich.:	A4B4C17D30 (1)
Weight, g/mol:	433.221286
ΔH_f, kcal/mol:	-216.32
Dipole, Da:	5.89
IP(EA), eV:	-9.38(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-[(2S)-1-amino-1-oxopropan-2-yl]amino]cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N([C@@H](C)C(=O)N)C(C)(C)C)NC(=O)C

DOS

IR

Vibrations