Geometry & MOs

Info

ID:	242960
PubChem CID:	99214527
Reduced:	S2N3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-93.37
Dipole, Da:	5.62
IP(EA), eV:	-8.19(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1SCC(=O)NC2=CC(=CC=C2)N3CCN(CC3)CC4CC4

DOS

IR

Vibrations