Geometry & MOs

Info

ID:	320697
PubChem CID:	126662573
Reduced:	OSN2C8H18 (1)
Stoich.:	ABC2D8E18 (1)
Weight, g/mol:	517.362805
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	4.49
IP(EA), eV:	-8.74(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-amino-1-hydroxybutan-2-yl)-6-[4-[[1-[[(Z)-1-(methylideneamino)propylideneamino]oxymethyl]piperidin-4-yl]methoxy]cyclohepta-2,5-dien-1-yl]hex-5-enamide

Drug info:

PubChemData

Smile

CCOC(=C)C(CS)NCNC

DOS

IR

Vibrations