Geometry & MOs

Info

ID:	38487
PubChem CID:	8136888
Reduced:	SN3O5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	365.150619
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	4.82
IP(EA), eV:	-9.24(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2R)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations