Geometry & MOs

Info

ID:	168935
PubChem CID:	75042607
Reduced:	ClSN4O4C30H45 (1)
Stoich.:	ABC4D4E30F45 (1)
Weight, g/mol:	556.308327
ΔH_f, kcal/mol:	-210.04
Dipole, Da:	2.31
IP(EA), eV:	-8.88(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3,3-dimethylcyclopentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(1,1-dioxothiazinan-2-yl)-5-(ethylamino)benzamide

Drug info:

PubChemData

Smile

CCNC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNC3CCC(C3)(C)C)O)N4CCCCS4(=O)=O.Cl

DOS

IR

Vibrations