Geometry & MOs

Info

ID:	218941
PubChem CID:	85090209
Reduced:	BrClNSO7H19C20 (1)
Stoich.:	ABCDE7F19G20 (1)
Weight, g/mol:	532.424008
ΔH_f, kcal/mol:	-226.02
Dipole, Da:	3.92
IP(EA), eV:	-9.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-butyl-7-[[4-tert-butyl-3-(3,3-dimethyl-2-oxobutoxy)phenyl]methyl]-4-hydroxy-2,8-dimethylnonanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=O)SC2C(C(=O)N2C(=O)C(=O)OCC=C)CC(=O)C)Cl)Br

DOS

IR

Vibrations