Geometry & MOs

Info

ID:	181948
PubChem CID:	76818661
Reduced:	OC20H30 (1)
Stoich.:	AB20C30 (1)
Weight, g/mol:	682.30543
ΔH_f, kcal/mol:	-38.01
Dipole, Da:	2.98
IP(EA), eV:	-8.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]benzoyl]amino]-3-oxobutyl]phenyl] 4-heptoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC=CC(C)O)C

DOS

IR

Vibrations