Geometry & MOs

Info

ID:	134716
PubChem CID:	51744019
Reduced:	N2O3C27H32 (1)
Stoich.:	A2B3C27D32 (1)
Weight, g/mol:	396.241293
ΔH_f, kcal/mol:	-72.35
Dipole, Da:	2.28
IP(EA), eV:	-9.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S)-N-tert-butyl-2-[furan-2-ylmethyl-[(2S)-2-phenylbutanoyl]amino]pent-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=CC=C1)N(CC2=CC=CO2)C(=O)[C@@H](CC)C3=CC=CC=C3

DOS

IR

Vibrations