Geometry & MOs

Info

ID:	218350
PubChem CID:	85089213
Reduced:	SN5O6C19H25 (1)
Stoich.:	AB5C6D19E25 (1)
Weight, g/mol:	451.177707
ΔH_f, kcal/mol:	-167.74
Dipole, Da:	8.63
IP(EA), eV:	-9.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2,5-dioxo-4-pyridin-2-ylsulfanylpyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CN(C3)C4=NC(=CO4)C(=O)NCCN)C(=O)O)C(C)O

DOS

IR

Vibrations