Geometry & MOs

Info

ID:	186074
PubChem CID:	77386512
Reduced:	FO2N7C29H36 (1)
Stoich.:	AB2C7D29E36 (1)
Weight, g/mol:	744.266538
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	5.33
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[4-chloro-3-[(4-ethoxy-2,3-difluorophenyl)methyl]phenyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=NC(C(C=C2)F)C)C(=O)C3=CC4=C5C(C=NN5C6CCN(CC6)C)C(=O)N=C4C=C3C

DOS

IR

Vibrations