Geometry & MOs

Info

ID:	222057
PubChem CID:	85293684
Reduced:	SN2O8C24H34 (1)
Stoich.:	AB2C8D24E34 (1)
Weight, g/mol:	511.250478
ΔH_f, kcal/mol:	-336.47
Dipole, Da:	6.61
IP(EA), eV:	-9.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-tert-butylsulfanyl-3-oxo-1-phenylbutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)CSC(=O)C(C)OC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C

DOS

IR

Vibrations