Geometry & MOs

Info

ID:	134841
PubChem CID:	51767051
Reduced:	N2O3C28H30 (1)
Stoich.:	A2B3C28D30 (1)
Weight, g/mol:	525.335528
ΔH_f, kcal/mol:	-59.05
Dipole, Da:	3.4
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(1S)-1-[4-(dimethylamino)phenyl]-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-methyl-2,3-diphenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC(=CC=C1)O)N(C)C(=O)/C(=C\C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations