Geometry & MOs

Info

ID:	61077
PubChem CID:	26705315
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-63.5
Dipole, Da:	5.88
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[1-(2-cyanophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations