Geometry & MOs

Info

ID:	214658
PubChem CID:	85083360
Reduced:	N5O5C31H47 (1)
Stoich.:	A5B5C31D47 (1)
Weight, g/mol:	569.382872
ΔH_f, kcal/mol:	-196.59
Dipole, Da:	8.3
IP(EA), eV:	-9.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)C#C)C(=O)NC(CC4CCC4)C(=O)C(=O)N)C

DOS

IR

Vibrations