Geometry & MOs

Info

ID:	134714
PubChem CID:	51743643
Reduced:	N2O5C27H40 (1)
Stoich.:	A2B5C27D40 (1)
Weight, g/mol:	432.241293
ΔH_f, kcal/mol:	-197.49
Dipole, Da:	8.56
IP(EA), eV:	-8.61(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R)-2-(butylamino)-2-oxo-1-phenylethyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

CCCC[C@H](CC)C(=O)N(CC1=CC=CO1)[C@@H](C2=CC(=C(C=C2)OC)OC)C(=O)NC(C)(C)C

DOS

IR

Vibrations