Geometry & MOs

Info

ID:	176613
PubChem CID:	76074154
Reduced:	N5O7C38H55 (1)
Stoich.:	A5B7C38D55 (1)
Weight, g/mol:	561.227514
ΔH_f, kcal/mol:	-303.7
Dipole, Da:	5.06
IP(EA), eV:	-8.76(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-hydroxybenzoyl)amino]azepan-4-yl] 4-(2-fluoro-6-hydroxy-3-pyrrolidin-1-ylbenzoyl)benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(CCN1CCOCC1)C(CC(C)C)C(=O)N)NC(CCN2C(=O)C3=CC4=CC=CC=C4C=C3C2=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations