Geometry & MOs

Info

ID:	243979
PubChem CID:	99303090
Reduced:	Cl2N3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	465.175599
ΔH_f, kcal/mol:	-163.16
Dipole, Da:	4.03
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopropyl-1-[(2S)-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations