Geometry & MOs

Info

ID:	49275
PubChem CID:	11532587
Reduced:	SN4O4C23H26 (1)
Stoich.:	AB4C4D23E26 (1)
Weight, g/mol:	454.258006
ΔH_f, kcal/mol:	-100.44
Dipole, Da:	3.75
IP(EA), eV:	-8.68(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-methyl-1-oxo-1-[[1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]amino]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CC2=C1C(=C(S2)NC(=O)C3=CC=CC=C3)C#N)C(=O)OCCCN4CCOCC4

DOS

IR

Vibrations