Geometry & MOs

Info

ID:	243386
PubChem CID:	99222739
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-119.74
Dipole, Da:	5.74
IP(EA), eV:	-9.15(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-amino-2-oxoethyl)-3-(3-nitrophenyl)-N-[(1R)-1-(4-propylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations