Geometry & MOs

Info

ID:	44457
PubChem CID:	10503642
Reduced:	NO3C12H18 (2)
Stoich.:	AB3C12D18 (2)
Weight, g/mol:	448.203193
ΔH_f, kcal/mol:	-235.84
Dipole, Da:	4.58
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S,7S)-3-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-2-oxo-7-propylazepan-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](CO)NC(=O)C1=CC(=C(C=C1OCC=C)C(=O)N[C@H](CO)C(C)C)OCC=C

DOS

IR

Vibrations