Geometry & MOs

Info

ID:	219934
PubChem CID:	85165062
Reduced:	BrN2S2O6C27H29 (1)
Stoich.:	AB2C2D6E27F29 (1)
Weight, g/mol:	618.299113
ΔH_f, kcal/mol:	-191.72
Dipole, Da:	5.39
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-butyl-6-[4-(3,5-dichlorophenyl)phenyl]-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]hexanoate

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2C(N(C1=O)CC3=CC=CC=C3SC)SC(=C2CBr)C4=CC=C(C=C4)OCOC

DOS

IR

Vibrations