Geometry & MOs

Info

ID:	315862
PubChem CID:	126629138
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	747.193795
ΔH_f, kcal/mol:	20.12
Dipole, Da:	3.08
IP(EA), eV:	-9.44(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (3S)-1-[2-[[(2S)-2-[[(E)-4-[4-chloro-2-[(1R)-1-hydroxyethyl]-8-methylquinolin-7-yl]-2,2-dimethylbut-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylate

Drug info:

PubChemData

Smile

CCC(=CC(=NC)C=C)CC

DOS

IR

Vibrations