Geometry & MOs

Info

ID:	47303
PubChem CID:	10531343
Reduced:	N4O8C29H50 (1)
Stoich.:	A4B8C29D50 (1)
Weight, g/mol:	582.309372
ΔH_f, kcal/mol:	-419.03
Dipole, Da:	7.05
IP(EA), eV:	-9.23(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-(tritylamino)hept-2-enoate

Drug info:

PubChemData

Smile

CCN(C(C)C)C(=O)N1C[C@H]([C@H]([C@@H]1CNC(=O)C=C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations