Geometry & MOs

Info

ID:	233352
PubChem CID:	89850913
Reduced:	BrN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	486.132442
ΔH_f, kcal/mol:	-150.68
Dipole, Da:	4.22
IP(EA), eV:	-9.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-[[(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarbonyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=CN1CC(C)(C2=CC(=CC=C2)Br)NC(=O)OC(C)(C)C

DOS

IR

Vibrations