Geometry & MOs

Info

ID:	151547
PubChem CID:	53837780
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	720.32581
ΔH_f, kcal/mol:	-89.31
Dipole, Da:	4.94
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,4R)-3-[(3,5-diethoxybenzoyl)amino]-4-[4-[5-methoxy-2-(methoxymethoxy)benzoyl]benzoyl]oxyazepane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(=NOCCC1=CCCC2=C1C=CC=C2OCC(=O)O)C3=CN=CC=C3

DOS

IR

Vibrations