Geometry & MOs

Info

ID:	134867
PubChem CID:	51771374
Reduced:	N2O2C27H36 (1)
Stoich.:	A2B2C27D36 (1)
Weight, g/mol:	384.277678
ΔH_f, kcal/mol:	-84.09
Dipole, Da:	3.69
IP(EA), eV:	-9.23(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-N-cyclohexyl-2-[methyl-[(2R)-2-phenylbutanoyl]amino]hept-3-enamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)N(C)[C@H]([C@@H](C)C2=CC=CC=C2)C(=O)NC3CCCCC3

DOS

IR

Vibrations