Geometry & MOs

Info

ID:	135066
PubChem CID:	51807407
Reduced:	N2O3C30H32 (1)
Stoich.:	A2B3C30D32 (1)
Weight, g/mol:	416.303893
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	7.26
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(E,2R)-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)hept-3-en-2-yl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)N(CCC)C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations