Geometry & MOs

Info

ID:	325060
PubChem CID:	126679417
Reduced:	IC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	586.13732
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	2.25
IP(EA), eV:	-9.42(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3-[(2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoyl]-N-[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C1CCC2CC(CCC2C1)I

DOS

IR

Vibrations