Geometry & MOs

Info

ID:	135285
PubChem CID:	51845518
Reduced:	N2O3C33H42 (1)
Stoich.:	A2B3C33D42 (1)
Weight, g/mol:	394.225643
ΔH_f, kcal/mol:	-97.61
Dipole, Da:	4.5
IP(EA), eV:	-9.29(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2S)-N-butyl-2-(N-[(2S)-2-methoxy-2-phenylacetyl]anilino)pent-3-enamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C2=CC=CC=C2)C(=O)[C@H](C3=CC=CC=C3)OC

DOS

IR

Vibrations