Geometry & MOs

Info

ID:	221826
PubChem CID:	85286182
Reduced:	SN2O8H32C34 (1)
Stoich.:	AB2C8D32E34 (1)
Weight, g/mol:	622.351906
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	6.2
IP(EA), eV:	-8.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl N-[3-[benzyl-[4-[benzyl-[3-(phenoxycarbonylamino)propyl]amino]butyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OCC1=CS(=O)C2C(C(=O)N2C1(CC=C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)COC5=CC=CC=C5

DOS

IR

Vibrations