Geometry & MOs

Info

ID:	168804
PubChem CID:	75020756
Reduced:	BrS2N3O4C26H38 (1)
Stoich.:	AB2C3D4E26F38 (1)
Weight, g/mol:	551.263151
ΔH_f, kcal/mol:	-189.52
Dipole, Da:	3.9
IP(EA), eV:	-8.33(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-1-ylacetyl]aziridine-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)Br)C(=O)C(=O)NCC)NC(=O)CCCCC2CCSS2

DOS

IR

Vibrations