Geometry & MOs

Info

ID:	421562
PubChem CID:	135116209
Reduced:	NO2C19H29 (1)
Stoich.:	AB2C19D29 (1)
Weight, g/mol:	664.358448
ΔH_f, kcal/mol:	-103.11
Dipole, Da:	2.07
IP(EA), eV:	-8.42(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6R,9S,12S,18R)-12-benzyl-16-(3-methoxypropanoyl)-3,9,10-trimethyl-18-phenyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

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CC1=CC(=C(C=C1)OCCN2CCC[C@@]3(C2)CCC[C@H]3O)C

DOS

IR

Vibrations