Geometry & MOs

Info

ID:	181115
PubChem CID:	76715627
Reduced:	FO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	673.282172
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	2.77
IP(EA), eV:	-9.95(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-(1,3-benzoxazol-2-yloxy)-N-cyclopropylsulfonyl-14-[(3-methylphenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)CC(CCCCCC=C)C(=O)O

DOS

IR

Vibrations