Geometry & MOs

Info

ID:	135287
PubChem CID:	51846397
Reduced:	N2O2C33H40 (1)
Stoich.:	A2B2C33D40 (1)
Weight, g/mol:	420.277678
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	7.38
IP(EA), eV:	-9.28(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1S)-2-(butylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-phenyloct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C/C(=O)N(C1=CC=CC=C1)[C@H](C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCCC

DOS

IR

Vibrations