Geometry & MOs

Info

ID:	134882
PubChem CID:	51774401
Reduced:	N3O5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-133.08
Dipole, Da:	4.29
IP(EA), eV:	-9.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-butyl-2-[methyl(3-phenylprop-2-ynoyl)amino]-3-phenylbutanamide

Drug info:

PubChemData

Smile

C/C=C\[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O

DOS

IR

Vibrations