Geometry & MOs

Info

ID:	45048
PubChem CID:	10507485
Reduced:	SN3O8C28H43 (1)
Stoich.:	AB3C8D28E43 (1)
Weight, g/mol:	581.325357
ΔH_f, kcal/mol:	-327.52
Dipole, Da:	2.83
IP(EA), eV:	-8.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E,4S)-1-(cyclopentylamino)-1,7-dioxo-7-(tritylamino)hept-2-en-4-yl]carbamate

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N[C@H](C[C@H]1CC(=NO1)C2=CC=C(C=C2)OCC3CCN(CC3)C(=O)OC(C)(C)C)C(=O)OC

DOS

IR

Vibrations